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Chemical composition and biological activity of Houttuynia cordata
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作者 Yibo Wang Yunpeng Yang +3 位作者 Xinyao Wang Wenhan Wang Luming Pan Yu Chen 《Asian Journal of Traditional Medicines》 2024年第4期223-234,共12页
Houttuynia cordata is an important traditional Chinese medicine.It is widely used for clearing heat and detoxification,reducing swelling and treating sores,diuresis and dehumidification.It is also used to treat lung c... Houttuynia cordata is an important traditional Chinese medicine.It is widely used for clearing heat and detoxification,reducing swelling and treating sores,diuresis and dehumidification.It is also used to treat lung carbuncles,ulcers,hemorrhoids,rectal bleeding,spleen and stomach heat,which are caused by excess heat,heat toxicity,dampness,and disease heat.Modern pharmacological experiments have shown that H.cordata has antibacterial,antiviral,immune enhancing,diuretic and other effects.This article reviews the chemical components and biological activities of H.cordata to provide reference for clinical application. 展开更多
关键词 Houttuynia cordata chemical composition biological activity
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Revealing the contribution of basilar membrane's biological activity to the mechanism of the cochlear phonosensitive amplification
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作者 J.Y.LIANG Wenjuan YAO 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2023年第5期823-840,共18页
Explaining the mechanism of the cochlear active phonosensitive amplification has been a major problem in medicine.The basilar membrane(BM)is the key infrastructure.In 1960,Nobel Laureate von B′ek′esy first discovere... Explaining the mechanism of the cochlear active phonosensitive amplification has been a major problem in medicine.The basilar membrane(BM)is the key infrastructure.In 1960,Nobel Laureate von B′ek′esy first discovered BM's traveling wave motion.Since that time,BM's models only have considered the traveling wave but not the biological activity.Therefore,a new model considering changes of BM's stiffness in space and time is established based on the immersed boundary method to describe its biological activity.It not only reproduces the results of traveling wave motion but also explains the mechanization on the generation of traveling wave.An important discovery is that changes of BM's stiffness in space and time will cause the unstable global resonance,which will induce amplification of sounds in cochlea.An important inference is that biological activity shall be included in the application of mechanical principles to the analysis of life,which is the essential difference between biomechanics and general mechanics. 展开更多
关键词 basilar membrane(BM) biological activity mechanical analysis cochlear phonosensitive amplification
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Overview of Research on Citral in Lauraceae Plants and Its Biological Activity
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作者 Ke LI Li DAI +4 位作者 Juan HE Feng WEN Yan YANG Chaoxia PAN Dangxun LI 《Agricultural Biotechnology》 CAS 2023年第4期25-29,共5页
Citral is a monoterpene aldehyde,which is the main chemical component of essential oils from Litsea cubeba and Cymbopogon citratus,as well as one of the most important representatives of open-chain monoterpene compoun... Citral is a monoterpene aldehyde,which is the main chemical component of essential oils from Litsea cubeba and Cymbopogon citratus,as well as one of the most important representatives of open-chain monoterpene compounds.The lemon flavor released by citral is very strong,and thus,it is widely used in essence,spices,manufacturing of various foods and beauty and other industries.It has antibacterial,anti-inflammatory,antioxidant,anti-tumor,insecticidal and other biological activity.This paper reviewed citral in Lauraceae plants and its biological activity,in order to provide reference for the development and utilization of citral in Lauraceae plants and its diversified applications. 展开更多
关键词 LAURACEAE CITRAL biological activity
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Advances in Research of Biological Activity,Action Mechanism and Structure-Activity Relationship of Lentinan
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作者 Jiawen LI Chao ZHAO +2 位作者 Xiaojian GONG Huaguo CHEN Xin ZHOU 《Asian Agricultural Research》 2023年第12期28-38,共11页
Lentinula edodes is the second largest edible mushroom in the world and is widely used as food and medicine.Modern research shows that lentinan(LNT)is the main active component of L.edodes.It has anti-cancer,treatment... Lentinula edodes is the second largest edible mushroom in the world and is widely used as food and medicine.Modern research shows that lentinan(LNT)is the main active component of L.edodes.It has anti-cancer,treatment of diabetes,intestinal protection,anti-inflammatory,anti-oxidation,anti-aging,hepatoprotective,immune-regulating effects.In this review,the biological activity,action mechanism and structure-activity relationship of LNT in recent years are reviewed.On this basis,the existing problems were discussed,and the future research and application of LNT were prospected.Finally,it is hoped that this review will promote the in-depth study of LNT and provide a reference for its development as a drug and functional food. 展开更多
关键词 LENTINAN biological ACTIVITIES Action mechanism STRUCTURE-activity RELATIONSHIP
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Synthesis of Thiadiazole Derivatives and Its Biological Activity
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作者 范望喜 潘腾 +2 位作者 张久 吴黎红 李文元 《Plant Diseases and Pests》 CAS 2010年第5期58-60,共3页
A new compound with biological activity had been synthesized by the reaction between 5-(p-chlorophenyl)-2-amino-1,3,4-thiodiazol and aroyl isocyanates.The structure of the target compound was confirmed by IR,UV,1HNM... A new compound with biological activity had been synthesized by the reaction between 5-(p-chlorophenyl)-2-amino-1,3,4-thiodiazol and aroyl isocyanates.The structure of the target compound was confirmed by IR,UV,1HNMR spectrum and elemental analysis.The biological activity tests showed that the target compound had an activity as plant growth regulator,the auxin activity was 26.1% and the cytokinin activity was 41.1%. 展开更多
关键词 1 3 4-THIADIAZOLE SYNTHESIS biological activity
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Biological Activity of Several Fungicides against Ustilaginoidea virens
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作者 苏贤岩 陈雨 +2 位作者 任学祥 张爱芳 叶正和 《Agricultural Science & Technology》 CAS 2015年第10期2299-2303,共5页
[Objective] This study aims to screen for the high effective fungicides which could significantly decrease the disease incidence and disease index of rice false smut. [Method] The inhibitory activities of the fungicid... [Objective] This study aims to screen for the high effective fungicides which could significantly decrease the disease incidence and disease index of rice false smut. [Method] The inhibitory activities of the fungicide against mycelial growth of Ustilaginoidea virens were measured to in vitro evaluate the ECho values. And 17 fungicides were sprayed to evaluate the efficacy and effect of the fungicides tested in the field trials on the rice characters, [Result] The results showed that epoxicona- zole, difenoconazole, propiconazole and procloraz exhibited high inhibitory activity against mycelial growth of Ustilaginoidea virens with the ECso values 0.04, 0.07, 0.12 and 0.11 pg/ml, respectively. The results of field trials showed that the efficacy of Wen- quning, and fungicides such as difenoconazole, prochloraz, propiconazole, epoxi- conazole and their mixtures in controlling rice false smut were all 70% or more. [Conclusion] The 17 tested fungicides behaved efficacy in controlling rice false smut and did not cause drug injury on leaves and grains of rice plants, sprayed when flag leaves of rice fully expanded. 展开更多
关键词 Rice false smut Ustilaginoidea virens Fungicides biological activity Field efficacy
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Construction of recombinant plasmid and prokaryotic expression in E. Coli and biological activity analysis of human placenta arresten gene 被引量:7
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作者 Jin-Ping Zheng, Hai-Ying Tang, Xian-Jiu Chen, Bao-Feng Yu, Jun Xie and Tang-Chun Wu Department of Toxicology (and Department of Biochemistry and Molecular Biology Shanxi Medical University, Taiyuan 030001, China: Institute of Occupational Medicine, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China 《Hepatobiliary & Pancreatic Diseases International》 SCIE CAS 2006年第1期74-79,共6页
BACKGROUND: The proliferation and metastasis of cancers depend on angiogenesis. This property provides the feasibility for the treatment of cancer by inhibition of angiogenesis, and many angiogenic inhibitors have bee... BACKGROUND: The proliferation and metastasis of cancers depend on angiogenesis. This property provides the feasibility for the treatment of cancer by inhibition of angiogenesis, and many angiogenic inhibitors have been demonstrated to effectively inhibit angiogenesis and consequently the growth of solid cancer. As for the newly identified angiogenesis inhibitor, arresten, some studies have found its high activity on restrainting tumor vessel. This study was to assess the anti-angiogenic activity of arresten. METHODS: The arresten gene was obtained from a healthy puerpera's placenta tissue by the reverse transcriptase-polymerase chain reaction (RT-PCR) method, and molecular cloning to prokaryotic expression plasmid pBV220 by recombination strategy. The prokaryotic expression plasmid pBV220/arr was identified by restriction enzyme digestion and sequenced. The pBV220/arr was transformed into E. coli JM109, DH5α, BL21 and BL21 (DE3) by the CaCl_2 transformation method. The arresten expression level was detected by SDS-PAGE. The expressed product was purlfled, re-naturalized and detected for its biological activity of inhibiting the angiogenesis of chorioallantoic membrane (CAM). RESULTS: The arresten gene was cloned and pBV220/arr was constructed. The arresten expression level of protein was highly increased after pBV220/arr was transformed into E. coli BL21 (DE3). SDS-PAGE showed that the expressed arresten proteins were mainly inclusion bodies and had a molecular weight of 26 kDa. The expressed arresten protein showed evident biological activities. CONCLUSIONS: The successful construction of recombinant plasmid pBV220/arr and the effective expression in E. coil have laid a foundation for further study of its anti-angiogenic function and may pave the way for future antitumor application. 展开更多
关键词 ARRESTEN prokaryotic expression vector gene cloning and expression biological activity
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Synthesis, Crystal Structure and Biological Activity of a Novel Amino Acid Salt (HGly)_4[HPMo_(12)O_(40) ]_2·22H_2O 被引量:4
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作者 HAN Zheng-bo +2 位作者 CHANG Ya-ping 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2003年第1期15-19,共5页
A novel compound, (HGly) 4[HPMo 12 O 40 ] 2·22H 2O, was synthesized and characterized by means of elemental analysis, IR and X ray diffraction. The compound crystallized in a monoclinic space group ... A novel compound, (HGly) 4[HPMo 12 O 40 ] 2·22H 2O, was synthesized and characterized by means of elemental analysis, IR and X ray diffraction. The compound crystallized in a monoclinic space group Cc with a =4 0060(0 8) nm, b =1 2527(0 3) nm, c =1 9930(0 4) nm, β =96 36(3)°, V =9 940(3) nm 3, Z =2, R 1=0 0576, wR 2 =0 1746. The anti tumor activity of this compound was tested in two human tumor cell lines in vitro . 展开更多
关键词 POLYOXOMETALATE GLY Crystal structure biological activity
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Synthesis,Crystal Structure and Biological Activity of N-(2,6-Difluorobenzoyl)-N'-[5-(4-trifluoromethyl-phenyl)-1,3,4-thiadiazol-2-yl]ure 被引量:4
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作者 邵宇 杨平 +2 位作者 李世荣 王发松 胡卫兵 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第6期848-852,共5页
The title compound N-(2,6-difluorobenzoyl)-N'-[5-(4-trifluoromethylphenyl)-1,3,4-thiadiazol-2-yl]urea(C17H9F5N4O2S,Mr = 428.34) has been synthesized by the reaction of 2-amino-5-(4-trifluoromethylphenyl)-1,3,... The title compound N-(2,6-difluorobenzoyl)-N'-[5-(4-trifluoromethylphenyl)-1,3,4-thiadiazol-2-yl]urea(C17H9F5N4O2S,Mr = 428.34) has been synthesized by the reaction of 2-amino-5-(4-trifluoromethylphenyl)-1,3,4-thiadiazole with 2,6-difluorobenzoyl isocyanate,and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to monoclinic,space group P21/n with a = 10.7316(13),b = 10.5617(13),c = 16.037(2) ,β = 106.408(2)°,V = 1743.6(4) 3,Z = 4,Dc = 1.632 g/cm3,μ = 0.260 mm-1,F(000) = 864,the final R = 0.0599 and wR = 0.1420 for 3467 observed reflections with I〉 2σ(I).The urea group,which adopts a planar configuration mediated by the intramolecular N-H...O hydrogen bond,is nearly coplanar with the thiadiazole and 4-trifluoromethylbenzene rings.The title compound was found to exhibit good fungicidal activity against Rhizoctonia solani and Botrytis cinerea. 展开更多
关键词 1 3 4-thiadiazole aroylurea SYNTHESIS crystal structure biological activity
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Prokaryotic Expression and Biological Activity Analysis of Human Arresten Gene 被引量:4
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作者 宋自芳 郑启昌 +3 位作者 李伟 熊俊 尚丹 舒晓刚 《Journal of Huazhong University of Science and Technology(Medical Sciences)》 SCIE CAS 2005年第1期8-12,共5页
To express recombinant arresten in Escherichia coli (E.Coli) and investigate its biological activity, prokaryotic expression vector of human arresten gene was constructed by gene engineering. Human arresten gene was a... To express recombinant arresten in Escherichia coli (E.Coli) and investigate its biological activity, prokaryotic expression vector of human arresten gene was constructed by gene engineering. Human arresten gene was amplified from recombinant plasmid pGEMArr by polymerase chain reaction (PCR), and inserted into prokaryotic expression vector pRSET containing T7 promoter. Restriction analysis and DNA sequencing verified that the arresten gene was correctly cloned into the expression vector. The recombinant plasmid pRSETAt was subsequently transformed into E.coli BL21 (DE3), and the target gene was expressed under induction of IPTG. SDS-PAGE analysis revealed that the recombinant protein with a molecular weight of 29 kD (1 kD=0.992 1 ku) amounted to 29 % of the total bacterial proteins. After purification and renaturation, the recombinant protein could significantly suppress the proliferation of human umbilical vein endothelial cells (HUVECs). These results suggested that the expression of a biologically active form of human arresten in the pRSET expression system laid a foundation for further study on the mechanistic insight into arresten action on angiogenesis and the development of powerful anti-cancer drugs. 展开更多
关键词 ARRESTEN prokaryotic expression biological activity endothelial cell vascular
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Synthesis,Crystal Structure and Biological Activity of 2-(1-(3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbonyl)piperidin-4-yl)-N-isopropyl-1,3-thiazole-4-carboxamide 被引量:3
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作者 LI Feng-Yun ZHU Yu-Jiea +9 位作者 FAN Zhi-Jin XU Jing-Hua GUO Xiao-Feng ZONG Guang-Ning SONG Hai-Bin CHEN Lai SONG Yin-Qi QIAN Xiao-Lin MA Liu-Yong WANG Jia-Ran 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第5期659-666,共8页
The title compound 2-(1-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbonyl)piperidin-4-yl)-N-isopropylthiazole-4-carboxamide(C21H22Br Cl N6O2 S,Mr = 536.04) has been synthesized,and its structure was cha... The title compound 2-(1-(3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carbonyl)piperidin-4-yl)-N-isopropylthiazole-4-carboxamide(C21H22Br Cl N6O2 S,Mr = 536.04) has been synthesized,and its structure was characterized by IR spectra,1H-NMR,13C-NMR,EA,and single-crystal X-ray diffraction.The crystal of the title compound belongs to monoclinic system,space group P/c with a = 15.146(3),b = 11.573(2),c = 26.937(5) A,β = 103.64(3)°,V = 1839.0(6) A^3,Z = 4,Dc = 1.557 g/cm^3,μ(Mo Ka) = 0.71073 mm^-1,F(000) = 2192,R = 0.0601 and w R = 0.1392.There exist one intramolecular hydrogen bond at N–H···N and four intermolecular weak interactions at O(2)···H(1),Cl(1)···H(12),O(1)···Cl(1) and S(1)···O(2).Bioassay results indicated that the title compound had good fungicidal and antiviral activities against tobacco mosaic virus. 展开更多
关键词 PYRAZOLE THIAZOLE crystal structure biological activity
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Synthesis, Crystal Structure, and Biological Activity of 4-Chlorobenzaldehyde (2-trifluoromethylTrifluoromethyl-5,6,7,8-tetrahydrobenzo[4 ,5]-thieno[2,3-d]pyrimidin-4-yl)hydrazone Monohydrate 被引量:3
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作者 杨平 王艳 +4 位作者 段正超 邵 宇 聂光华 宋新建 田大听 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第7期1023-1030,共8页
The novel title compound 4-chlorobenzaldehyde (2-trifluoromethyl-5,6,7,8- tetrahydro- benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazone monohydrate (C18H14C1F3N4S.H20, Mr = 428.86) has been synthesized by a condensa... The novel title compound 4-chlorobenzaldehyde (2-trifluoromethyl-5,6,7,8- tetrahydro- benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazone monohydrate (C18H14C1F3N4S.H20, Mr = 428.86) has been synthesized by a condensation reaction of 4-chlorobenzaldehyde with (2-trifuoromethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)hydrazine, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 7.4252(7), b = 26.344(2), c = 10.3095(9) A, /3 = 109.407(2)~, V= 1902.0(3) A3, Z = 4, Dc = 1.498 g/cm^3, p = 0.356 mm-1, F(000) = 880, the final R = 0.0564 and wR = 0.1681 for 2343 observed reflections with I 〉 2o(/). X-ray diffraction analysis reveals that the title hydrazone molecule is nearly planar except for the cyclohexene and trifluoromethyl moieties. In the crystal packing, the molecules form stacks by a three-dimensional framework, which results from intermolecular N(3)-H(3)...O(1), O(1)-H(1B)...N(2), O(1)- H(1B)...N(4) and O(1)-H(1A)...F(1) hydrogen bonds via water molecules together with π-π stacking interactions. Molecular geometry of the title compound in the ground state optimized by B3LYP functional with 6-311G** basis sets indicates that the calculations are in agreement with the experimental data. The preliminary bioassay suggested that the title compound exhibits relatively good fungicidal activity against Fusarium oxysporium fsp.vasinfectum and Dothiorella gregaria. 展开更多
关键词 thieno[2 3-d]pyrimidine hydrazone TRIFLUOROMETHYL DFT calculation biological activity
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Synthesis,Crystal Structure and Biological Activity of 2-(Anthracen-9-yl)-5-p-tolyl-1,3,4-oxadiazole 被引量:2
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作者 李新伟 何道航 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第3期367-372,共6页
A novel compound,2-(anthracen-9-yl)-5-p-tolyl-1,3,4-oxadiazole(C23H16N2O),has been synthesized by the condensation of 4-methylbenzohydrazide and anthracene-9-carbaldehyde in an ethanol solution with chloramine-T.T... A novel compound,2-(anthracen-9-yl)-5-p-tolyl-1,3,4-oxadiazole(C23H16N2O),has been synthesized by the condensation of 4-methylbenzohydrazide and anthracene-9-carbaldehyde in an ethanol solution with chloramine-T.The compound was characterized by 1H-NMR,13C-NMR,MS and single-crystal X-ray diffraction.The crystal belongs to the triclinic system,space group P with a = 7.7817(4),b = 8.8544(5),c = 12.4726(8) ,β = 92.8520(10)°,Z = 2,V = 826.58(8) 3,Dc = 1.352 g/cm3,Mr = 336.38,λ(MoKα) = 0.71073 ,μ = 0.084 mm-1,F(000) = 352,R = 0.0381 and wR = 0.1099.The dihedral angle between anthracene skeleton and phenyl ring is 64.19°.A total of 6354 unique reflections were collected,of which 3172 with I 〉 2σ(I) were observed.X-ray analysis indicated an offset face-to-face π-π stacking interaction between anthracene skeletons and an offset face-to-face π-π stacking interaction between phenyl ring planes.The novel compound molecules are connected through the offset face-to-face π-π stacking interactions to generate a three-dimensional network.The preliminary bioassay results showed that the novel compound exhibited significant insect growth inhibitory activity against Spodoptera litura Fabricius larvae. 展开更多
关键词 1 3 4-oxadiazole crystal structure SYNTHESIS biological activity
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Synthesis,Crystal Structure and Biological Activity of N-cyanosulfoximine Derivative Containing 1,2,3-Thiadiazole 被引量:2
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作者 毛武涛 宗广宁 +8 位作者 范志金 李凤云 宋海斌 李娟娟 Kalinina A.Tatiana Khazhieva Inna Lugovik Ksenia Morzherin Yu.Yury Belskaya P.Nataliya 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第9期1428-1433,共6页
The title compound N-cyanosulfoximine derivative containing 1,2,3-thiadiazole (C6HsN4OS2, Mr = 216.28) has been synthesized using 4-(chloromethyl)-5-methyl-1,2,3-thiadiazole as the starting material, and its struc... The title compound N-cyanosulfoximine derivative containing 1,2,3-thiadiazole (C6HsN4OS2, Mr = 216.28) has been synthesized using 4-(chloromethyl)-5-methyl-1,2,3-thiadiazole as the starting material, and its structure was characterized by IR, 1H NMR, HRMS, elemental analysis and single-crystal X-ray diffraction. The crystal of the title compound belongs to orthorhombic, space group Pna21 with a = 14.730(6), b = 5.478(2), c = 22.619(9) A, Z = 8, V = 1825.0(13) A3, Dc = 1.574 g/cm3,/a = 0.547 mm-1, F(000) = 896, R = 0.0767 and wR (I〉 2o(/)) = 0.2064. X-ray analysis indicates that in this crystal double enantiomers are found as the basically asymmetrical unit and interactions between S(1)...N(3), S(3)...N(4) and S(3)...N(7) are observed. This kind of interactions extends the molecules into a one-dimensional double chain. The preliminary biological test showed that the title compound had insecticidal activity against Myzus persicae in a certain degree and also presented moderate potential bioactivity against tobacco mosaic virus (TMV). 展开更多
关键词 1 2 3-thiadiazole SULFOXIMINE crystal structure SYNTHESIS biological activity
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Synthesis, Characterization and Biological Activity of Transition Metals with Schiff Base Derived from Adamantaneamineand o-Vanillin 被引量:2
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作者 ZHAO Guoliang LI Liangchao LIU Xinghai ZHANG Pinghua 《Wuhan University Journal of Natural Sciences》 EI CAS 2006年第2期427-431,共5页
Five new solid complexes were synthesized about transition metals with Schiff base( L, C18H23NO2 ) derived from adamantaneamine and o-vanillin, and characterized by elemental analysis, molar conductance, infrared sp... Five new solid complexes were synthesized about transition metals with Schiff base( L, C18H23NO2 ) derived from adamantaneamine and o-vanillin, and characterized by elemental analysis, molar conductance, infrared spectra, UV-vis spectra, thermal analysis. Their chemical formula are [ML2](ClO4)2 ( M= Mn, Co, Ni, Cu, Zn), and the coordination numbers are four, The antibacterial activity of Schiff base ligand and its complexes was studied. 展开更多
关键词 transition metal complex Schiff base adamantaneamine crvanillin biological activity
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Synthesis, Crystal Structure and Biological Activity of 2-(3,4-Dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate 被引量:2
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作者 ZONG Guang-Ning LI Feng-Yun +7 位作者 FAN Zhi-Jin MAO Wu-Tao SONG Hai-Bin CHEN Lai ZHU Yu-Jie XU Jing-Hua SONG Yin-Qi WANG Jia-Ran 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第6期871-878,共8页
The title compound diethyl 2-(3,4-dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5- dihydrothiazol-4-yl-3-methylbenzoate (C15H9C12F3N202S2, Mr = 441.26) was prepared from methyl 3,4-dichloroisothiazole-5-carboxy... The title compound diethyl 2-(3,4-dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5- dihydrothiazol-4-yl-3-methylbenzoate (C15H9C12F3N202S2, Mr = 441.26) was prepared from methyl 3,4-dichloroisothiazole-5-carboxylate as the starting material by four steps of reaction. Its structure was characterized by IR, 1H-NMR, 13C-NMR, EA and single-crystal X-ray diffraction. The crystal of the title compound belongs to the monoclinic system, space group P2dc with a = 8.8437(18), b = 16.128(3), c = 12.305(3) A, β = 91.68(3)°, V= 1754.4(6) A3, Z = 4, Dc = 1.671 g/cm3,μ(MoKa) = 0,71073 mm^-1, F(000) = 888, R = 0.0384 and wR = 0.0778. Weak π-π interactions occur between the isothiazole rings and phenyl rings of adjacent molecules to form a one-dimensional chain and stabilize the crystal structure. Bioassay indicates that the title compound has good activity against the fungi and TMV tested. 展开更多
关键词 ISOTHIAZOLE 4 5-dihydrothiazole SYNTHESIS crystal structure biological activity
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Synthesis,Crystal Structure and Biological Activity of N-tert-butyl-N-(4-methyl-1,2,3-thiadiazole)-5-yl-N’-(4-methyl-1,2,3-thiadiazole)-5-formyl-N’-3,5-dichloropyridin-2-yl-diacylhydrazine 被引量:2
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作者 王唤 付一峰 +5 位作者 范志金 宋海斌 吴青君 张友军 Belskaya N.P. Bakulev V.A. 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第3期412-416,共5页
The title compound N-tert-butyl-N-(4-methyl-1,2,3-thiadiazole)-5-yl-N'-(4-me-thyl-1,2,3-thiadiazole)-5-formyl-N'-3,5-dichloropyrid-2-yl-diacylhydrazines (C18H17Cl2N7O3S2, Mr = 514.41) has been synthesized by t... The title compound N-tert-butyl-N-(4-methyl-1,2,3-thiadiazole)-5-yl-N'-(4-me-thyl-1,2,3-thiadiazole)-5-formyl-N'-3,5-dichloropyrid-2-yl-diacylhydrazines (C18H17Cl2N7O3S2, Mr = 514.41) has been synthesized by the reaction of N-tert-butyl-N'-3,6-dichloropyridine-2-formyl hydrazine with 4-methyl-1,2,3-thiadiazole-5-carbonyl chloride and triethylamine, and its structure was characterized by 1H NMR, HR MS, and single-crystal X-ray diffraction. The crystal of the title compound belongs to monoclinic, space group C2/c with a = 27.726(8), b = 11.045(3), c = 14.507(4)A, β = 96.758(4)°, Z = 8, V = 4412(2) A^3, Dc = 1.549 g/cm^3, μ = 0.521 mm^-1, F(000) = 2112, R = 0.0405 and wR = 0.1153. X-ray analysis indicates that all rings are non-planar in this molecule. The bioassay results indicate that both the title compound and the positive control RH-5992 have weak fungicide activities, while the title compound has good insecticidal activity against Plutella xylostella L. and no insecticidal activity against Culex pipiens pallens. 展开更多
关键词 crystal structure 1 2 3-thiadiazole SYNTHESIS biological activity
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Synthesis, Crystal Structure and Biological Activity of Diethyl 1,4-dihydro-2,6-dimethyl-4-(4-methyl-1,2,3-thiadi azol-5-yl)pyridine-3,5-dicarboxylate 被引量:2
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作者 李娟娟 华学文 +9 位作者 范志金 姬晓恬 宗广宁 李凤云 黄云 宋海滨 刘超伦 Yury Yu. Morzherin Nataliya P. Belskaya Vasiliy A. Bakulev 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第4期535-543,共9页
The title compound diethyl 1,4-dihydro-2,6-dimethyl-4-(4-methyl-1,2,3-thiadiazol- 5-yl) pyridine-3,5-dicarboxylate (C16H21N3O4S, Mr = 351.42) was prepared by the Hantszch reaction with 4-methyl-1,2,3-thiadiazole-5... The title compound diethyl 1,4-dihydro-2,6-dimethyl-4-(4-methyl-1,2,3-thiadiazol- 5-yl) pyridine-3,5-dicarboxylate (C16H21N3O4S, Mr = 351.42) was prepared by the Hantszch reaction with 4-methyl-1,2,3-thiadiazole-5-formaldehyde, ethyl acetoacetate and ammonium acetate in the presence of aluminum chloride in alcohol, and its structure was characterized by IR spectra, 1H-NMR, EA, and single-crystal X-ray diffraction. The crystal of the title compound belongs to monoclinic system, space group P21/n with α= 11.300(2), b = 12.771(3), c = 12.826(3) ?, β = 96.55(3)o, V = 1839.0(6) ?3, Z = 4, Dc = 1.296 g/cm3, μ(MoKa) = 0.71073 mm-1, F(000) = 744, R = 0.0981 and wR = 0.1994. X-ray diffraction result shows that the torsion angles of N(1)–C(2)– C(3)–C(4) and C(2)–C(3)–C(4)–C(8) are 178.9(3)° and –130.3(3)°, respectively. All rings in the title compound are non-planar. The bioassay results indicate that the title compound has good fungicidal activity, good antivirus activity against tobacco mosaic virus and certain extent of insecticidal activity against Mythimna separata. 展开更多
关键词 1 4-DIHYDROPYRIDINE 1 2 3-thiadiazole crystal structure biological activity
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Synthesis,Crystal Structure and Biological Activity of a Planar Copper Complex Derived from S-benzyldithiocarbazate 被引量:2
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作者 仇晓阳 朱美安 +2 位作者 刘瑛 丁秀云 张平 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第10期1557-1561,共5页
A planar transition metal complex Cu(L)2 (L = (E)-benzyl-2-(4-nitrobenzylidene)-hydrazinecarbodithioate) has been prepared and determined by X-ray single-crystal diffraction. The crystal belongs to the monocli... A planar transition metal complex Cu(L)2 (L = (E)-benzyl-2-(4-nitrobenzylidene)-hydrazinecarbodithioate) has been prepared and determined by X-ray single-crystal diffraction. The crystal belongs to the monoclinic system,space group P21/c with a = 6.7101(11),b = 16.952(3),c = 13.962(3) ,β = 92.458(4)°,V = 1586.7(5) 3,Z = 4,Mr = 724.33,Dc = 1.516 g·m-3,μ = 0.998 mm-1,F(000) = 742,S = 1.021,R = 0.0634 and wR = 0.1077 for 813 observed reflections with Ⅰ〉 2σ(Ⅰ) and 205 parameters. In the molecular structure of the title complex,the copper atom exhibits a slightly distorted square-planar geometry in which the basal plane is defined by two N and two S atoms from two bidentate ligands. The complex was evaluated for its antitumor activity against two kinds of cell lines (MKN45 and HepG2) by MTT method. The preliminary bioassay indicates that the complex exhibits weak antitumor activity. 展开更多
关键词 copper(II) complex Schiff base crystal structure biological activity
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Synthesis,Crystal,Computational Study and Biological Activity of N-(1-(2,4-Dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-(N,N-dipropylsulfamoyl)benzamide 被引量:9
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作者 卢久富 靳玲侠 +5 位作者 葛红光 季晓晖 郭小华 田光辉 宋娟 姜敏 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第11期1810-1816,共7页
The title compound N-(1-(2,4-dichlorophenyl)-1 H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-(N,N-dipropylsulfamoyl)benzamide was synthesized by the condensation of 4-(dipropylsulfamoyl)benzoic acid with 1-(2,4-dichloro... The title compound N-(1-(2,4-dichlorophenyl)-1 H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-(N,N-dipropylsulfamoyl)benzamide was synthesized by the condensation of 4-(dipropylsulfamoyl)benzoic acid with 1-(2,4-dichlorophenyl)-1 H-pyrazolo[3,4-d]pyrimidin-4-amine. This intermediate was prepared from 5-amino-1-(2,4-dichlorophenyl)-1 H-pyrazole-4-carbonitrile by the condensation with triethyl orthoformate and then cyclisation with ammonium hydroxide solution in tetrahydrofuran at room temperature. The crystal structure of the title compound was determined. The optimized geometric bond lengths and bond angles obtained by using density functional theory(DFT) have been compared with X-ray diffraction values. In addition, the preliminary biological test showed that the compound possesses distinct effective inhibition on the proliferation of some cancer cell lines. 展开更多
关键词 synthesis X-ray diffraction DFT biological activity
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