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Efficient synthesis of pyrano[2,3-d]pyrimidinone and pyrido[2,3-d]pyrimidine derivatives in presence of novel basic ionic liquid catalyst 被引量:1
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作者 Omid Goli Jolodar Farhad Shirini Mohadeseh Seddighi 《Chinese Journal of Catalysis》 CSCD 北大核心 2017年第7期1245-1251,共7页
A basic ionic liquid, namely 1,1'-(butane-1,4-diyl)bis(1,4-diazabicyclo [2.2.2]octan-1-ium) hydrox-ide, was prepared and characterized using Fourier-transform infrared spectroscopy, XH nuclear magnetic... A basic ionic liquid, namely 1,1'-(butane-1,4-diyl)bis(1,4-diazabicyclo [2.2.2]octan-1-ium) hydrox-ide, was prepared and characterized using Fourier-transform infrared spectroscopy, XH nuclear magnetic resonance spectroscopy, and pH measurements. The ionic liquid was used for efficient promotion of the synthesis of pyrano[2,3-d]pyrimidinone and pyrido[2,3-d]pyrimidine derivatives at room temperature under grinding conditions. A simple procedure, short reaction time, high yields, non-column chromatographic separation, commercial availability of the starting materials, and recyclability of the catalyst are attractive features of this process. 展开更多
关键词 Basic catalyst Multicomponent reaction pyrimidine derivative GRINDING
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3D-QSAR and Docking Studies of Pyrido[2,3-d]pyrimidine Derivatives as Weel Inhibitors
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作者 Guo-hua Zeng Wen-juan Wu +3 位作者 Rong Zhang Jun Sun Wen-guo Xie Yong Shen 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第3期297-307,373,共12页
In order to investigate the inhibiting mechanism and obtain some helpful information for designing functional inhibitors against Wee1, three-dimensional quantitative structure-activity relationship (3D-QSAR) and doc... In order to investigate the inhibiting mechanism and obtain some helpful information for designing functional inhibitors against Wee1, three-dimensional quantitative structure-activity relationship (3D-QSAR) and docking studies have been performed on 45 pyrido[2,3-d] pyrimidine derivatives acting as Wee1 inhibitors. Two optimal 3D-QSAR models with significant statistical quality and satisfactory predictive ability were established, including the CoMFA model (q2=0.707, R2=0.964) and CoMSIA model (q2=0.645, R2=0.972). The external validation indicated that both CoMFA and CoMSIA models were quite robust and had high predictive power with the predictive correlation coefficient values of 0.707 and 0.794, essen- 2 values of 0.792 and 0.826, the leave-one-out r2m(LOO) values of 0.781 and tim parameter rm2 0.809, r2( all) values of 0.787 and 0.810, respectively. Moreover, the appropriate binding orientations and conformations of these compounds interacting with Wee1 were revealed by the docking studies. Based on the CoMFA and CoMSIA contour maps and docking analyses, several key structural requirements of these compounds responsible for inhibitory activity were identified as follows: simultaneously introducing high electropositive groups to the sub- stituents R1 and R5 may increase the activity, the substituent R2 should be smaller bulky and higher electronegative, moderate-size and strong electron-withdrawing groups for the substituent R3 is advantageous to the activity, but the substituent X should be medium-size and hydrophilic. These theoretical results help to understand the action mechanism and design novel potential Wee1 inhibitors. 展开更多
关键词 Weel Pyrido[2 3-d]pyrimidine derivative Three-dimensional quantitativestructure-activity relationship Docking study
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A novel and efficient synthesis of pyrazolo[3,4-d]pyrimidine derivatives and the study of their anti-bacterial activity 被引量:7
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作者 Shahnaz Rostamizadeh Masoomeh Nojavan +2 位作者 Reza Aryan Hamid Sadeghian Mahdieh Davoodnejad 《Chinese Chemical Letters》 SCIE CAS CSCD 2013年第7期629-632,共4页
In this work 4-amino-6-aryl-2-phenyl pyrimidine-5-carbonitrile derivatives were synthesized through a one-pot, three-component reaction of an aldehyde, malononitrile and benzamidine hydrochloride, in the presence of m... In this work 4-amino-6-aryl-2-phenyl pyrimidine-5-carbonitrile derivatives were synthesized through a one-pot, three-component reaction of an aldehyde, malononitrile and benzamidine hydrochloride, in the presence of magnetic nano Fe304 particles as a catalyst under solvent-free conditions. 3-Amino-6-aryl- 2-phenylpyrazolo[3,4-d]pyrimidine derivatives were prepared through an efficient and environmentally friendly reaction between 4-amino-6-aryl-2-phenylpyrimidine-5-carbonitrile derivatives and hydra- zine hvdrate and their antibacterial activity has been evaluated 展开更多
关键词 Pyrrazolo[3 4-d]pyrimidine derivatives pyrimidine-5-carbonitrile derivatives Antibacterial activity Staphylococcus aureus Enterococcus raffinosus
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Synthesis and antitumor activities of a new series of 4,5-dihydro-1H-thiochromeno[4,3-d]pyrimidine derivatives 被引量:2
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作者 GUO DeXiang LIU YaJing +4 位作者 LI Ting WANG Nan ZHAI Xin HU Chun GONG Ping 《Science China Chemistry》 SCIE EI CAS 2012年第3期347-351,共5页
A new series of 4,5-dihydro-lH-thiochromeno[4,3-d]pyrimidine derivatives have been designed and synthesized. The anti- tumor activities of the target compounds have been evaluated in vitro against two human cancer cel... A new series of 4,5-dihydro-lH-thiochromeno[4,3-d]pyrimidine derivatives have been designed and synthesized. The anti- tumor activities of the target compounds have been evaluated in vitro against two human cancer cell lines including A549 (human alveolar adenocarcinoma cell) and H460 (human lung cancer) by MTT assay. Most of the target compounds exhibited significant antitumor activities against A549 and H460 cancer cell lines. The most potent compound 4-(benzo[d][1,3]dioxol- 5-yl)-8,9-difluoro-2-(4-methylpiperazin-l-yl)-4,5-dihydro-1H-thiochromeno[4,3-d]pyrimidine (CH05) (IC50 = 0.44 μM, 3.07 μM) was 2.0 and 8.4 times more active than gefitinib (IC50= 0.89 μM, 16.81 μM) against A549 and H460 cell lines, respectively. 展开更多
关键词 HETEROCYCLE SYNTHESIS 4 5-dihydro-lH-thiochromeno[4 3-d]pyrimidine derivatives antitumor activity
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Multicomponent Strategy for the Preparation of Pyrrolo[1,2-a]- pyrimidine Derivatives under Catalyst-Free and Microwave Irradiation Conditions
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作者 Zhan Xun Xian Feng +2 位作者 Jianjun Wang Daqing Shi Zhibin Huang 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2016年第7期696-702,共7页
A simple and efficient one-pot procedure has been developed for the construction of pyrrolo[ 1,2-a]pyrimidines via the three-component domino reaction of 5-aminopyrazoles, acetylenedicarboxylates and malononitrile und... A simple and efficient one-pot procedure has been developed for the construction of pyrrolo[ 1,2-a]pyrimidines via the three-component domino reaction of 5-aminopyrazoles, acetylenedicarboxylates and malononitrile under catalyst-free, microwave irradiation conditions. The key step in this transformation is the N--N bond cleavage reac- tion of the 5-aminopyrazole substrate, which has been reported in this context for the first time in this study. The advantages of this protocol include readily available starting materials, short reaction times and good regioselectivity. 展开更多
关键词 pyrrolo[ 1 2-a]pyrimidine derivatives multi-component reactions CATALYST-FREE microwave irradiation
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Use of 3-(2'-formyl-l'-chlorovinyl)coumarin in the syntheses of pyrazol, salicylaldazine and pyrimidine derivatives
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作者 EL-DEEN Ibrahim M. 《Chinese Journal of Chemistry》 SCIE CAS CSCD 1999年第4期391-397,3,共8页
3-(Pyrazol-5'-yl)coumarin (3) was prepared from condensation of 3-(2'-formyl-1'-chlorovinyl)-coumarin (1) with hydrazine hydrate at room temperature, followed by cyclization with base. Salicylaldazine was ... 3-(Pyrazol-5'-yl)coumarin (3) was prepared from condensation of 3-(2'-formyl-1'-chlorovinyl)-coumarin (1) with hydrazine hydrate at room temperature, followed by cyclization with base. Salicylaldazine was prepared from methoxylation of 1 to give acetal 7, followed by condensation of 7 with hydrazine hydrate at 80℃. Treatment of acetal 7 with thiourea yielded the corresponding 4-substituted-2-thioxo-2H-pyrimidine [ 3, 4-b]-coumarin (12). 展开更多
关键词 SYNTHESES PYRAZOL pyrimidine derivatives
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Spectroscopic analysis on the binding interaction of biologically active pyrimidine derivative with bovine serum albumin 被引量:8
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作者 Vishwas D. Suryawansht Laxman S. Walekar +2 位作者 Anil H. Gore Prashant V. Anbhule Govind B. Kolekar 《Journal of Pharmaceutical Analysis》 SCIE CAS 2016年第1期56-63,共8页
A biologically active antibacterial reagent, 2-amino-6-hydroxy-4-(4-N, N-dimethylaminophenyl)-pyr- imidine-5-carbonitrile (AHDMAPPC), was synthesized. It was employed to investigate the binding in- teraction with ... A biologically active antibacterial reagent, 2-amino-6-hydroxy-4-(4-N, N-dimethylaminophenyl)-pyr- imidine-5-carbonitrile (AHDMAPPC), was synthesized. It was employed to investigate the binding in- teraction with the bovine serum albumin (BSA) in detail using different spectroscopic methods. It ex- hibited antibacterial activity against Escherichia cali and Staphylococcus aureus which are common food poisoning bacteria. The experimental results showed that the fluorescence quenching of model carrier protein BSA by AHDMAPPC was due to static quenching. The site binding constants and number of binding sites (n ≈ 1) were determined at three different temperatures based on fluorescence quenching results. The thermodynamic parameters, enthalpy change (AH), free energy (AG) and entropy change (AS) for the reaction were calculated to be 15.15 kJ/mol, -36.11 kJ/mol and 51.26J/mol K according to van't Hoff equation, respectively. The results indicated that the reaction was an endothermic and spontaneous process, and hydrophobic interactions played a major role in the binding between drug and BSA. The distance between donor and acceptor is 2.79 nm according to Forster's theory. The alterations of the BSA secondary structure in the presence of AHDMAPPC were confirmed by UV-visible, synchronous fluorescence, circular dichroism (CD) and three-dimensional fluorescence spectra. All these results in- dicated that AHDMAPPC can bind to BSA and be effectively transported and eliminated in the body. It can be a useful guideline for further drug design. 展开更多
关键词 Bovine serum albumin Fluorescence spectroscopy pyrimidine derivative Binding interaction Fluorescence resonance energy transfer(FRET)
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Hydrothermal Syntheses, Crystal Structures and Fluorescence of a Copper(I) Polymer and a Salt with H_2SO_4 Based on a Pyrimidine Building Block
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作者 赵朴素 景龙 +3 位作者 刘娥 王静 建方方 李荣清 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第4期551-561,共11页
Based on the building block of 2-phenyl-4,6-di(pyridin-2-yl)pyrimidine (L = C20H14N4), a Cu(I) polymer [(CuC20H14N4)(CuCl2)]∞ and a salt with H2SO4 [(C20H16N4)(HSO4)2] have been synthesized by hydrother... Based on the building block of 2-phenyl-4,6-di(pyridin-2-yl)pyrimidine (L = C20H14N4), a Cu(I) polymer [(CuC20H14N4)(CuCl2)]∞ and a salt with H2SO4 [(C20H16N4)(HSO4)2] have been synthesized by hydrothermal method and characterized by X-ray single-crystal diffraction. In the Cu(Ⅰ) polymer, although the central metal ions of Cu(Ⅰ) directly coordinate with the building block L, they still do not assembly expected grid-type complexes and there exists a one-dimensional chain constructed through coordinate bonds. In the salt, hydrogen bonds along with two kinds of π…π supramoleuclar interactions fabricate two-dimensional (2D) networks which further generate a 3D supramolecular architecture via interlayer π…π interactions. Fluorescent spectra show that the L emits blue fluorescence and its Cu(Ⅰ) polymer and salt decrease the fluorescent intensity. 展开更多
关键词 pyrimidine derivative Cu(Ⅰ) polymer hydrogen bond fluorescence
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3D-QSAR and action mechanism of potential dual inhibitors towards AP-1 and NF-κB
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作者 QIAN Li LIAO Si-yan MIAO Ti-fang SHEN Yong ZHENG Kang-cheng 《Journal of Chemistry and Chemical Engineering》 2009年第1期1-12,共12页
Three-dimensional quantitative structure-activity relationship (3D-QSAR) and docking studies of a series of novel dioxopyrrolinyl-amino-pyrimidine derivatives, which are potential dual inhibitors mediating a transcr... Three-dimensional quantitative structure-activity relationship (3D-QSAR) and docking studies of a series of novel dioxopyrrolinyl-amino-pyrimidine derivatives, which are potential dual inhibitors mediating a transcriptional activation towards protein-1 (AP-1) and nuclear factor kappa B (NF-κB), have been carried out. The QS, AR models established by comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) show a good predictive ability with cross-validated coefficients q2 of 0.644 and 0.636, respectively. The docking result shows that there are quite lower average values of the flexible and rigid energy scores on the selected binding sites, meanwhile, it further shows that the binding sites just fall on the joint regions between AP-1 (and NF-κB) and DNA. The reason that these analogues have inhibition function towards AP-I and NF-κB is that their existence on these joint regions can effectively prevent free AP-I and NF-κB from binding to DNA. These results can offer a valuable theoretical reference to the pharmaceutical molecular design as well as the action mechanism analysis. 展开更多
关键词 pyrimidine derivative 3D-QSAR docking analysis activator protein-1 nuclear factor kappa B
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Discovery and synthesis of N^2,N^4-substitued-cycloalkyl[d]pyrimidine-2,4-diamine analogs: The first examples of small-molecular FGFR-1 activator
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作者 Bao-Li Li Fang Xiao +3 位作者 Wen-Chao Lu Yu-Yun Sun Jin Zhu Jian Li 《Chinese Chemical Letters》 SCIE CAS CSCD 2014年第7期989-994,共6页
A series of novel, cycloalkyl-modified pazopanib analogs 2 and 3 were designed and synthesized. Their kinase modulatory effects on FGFR-1, VEGFR-2, PDGFR-β and c-KIT were evaluated by the caliper mobility shift assay... A series of novel, cycloalkyl-modified pazopanib analogs 2 and 3 were designed and synthesized. Their kinase modulatory effects on FGFR-1, VEGFR-2, PDGFR-β and c-KIT were evaluated by the caliper mobility shift assay. Introduction of cycloalkyl into the pyrimidine linker of pazopanib almost abolished the four kinases inhibitory potency of compounds 2 and 3, but surprisingly, resulted in good activation effects on FGFR-1. Compounds 3d and 3g showed double-digit, nanomolar, selective activation effects on FGFR-1, and could be classified as first-generation small molecular activators of FGFR-1 kinase. 展开更多
关键词 Cycloalkyl[d]pyrimidine derivatives FGFR-1 ACTIVATOR Chemical probe
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