Diabetes is a serious, long-term (or chronic) disease that occurs when a person’s blood sugar levels are high because their body cannot produce enough insulin, or does not produce enough insulin or that it cannot eff...Diabetes is a serious, long-term (or chronic) disease that occurs when a person’s blood sugar levels are high because their body cannot produce enough insulin, or does not produce enough insulin or that it cannot effectively use the insulin it produces. According to the literature, this disease has several causes, but certain types of diabetes such as type 2 diabetes are most closely linked to a metabolic disorder due to abdominal obesity. Thus, the number of individuals with type 2 diabetes is increasing. It is with this in mind that we work to improve human health. The aim of this study is to design new derivatives of 1,3,4-thiadiazole with improved antidiabetic activity by the mathematical model of multiple linear regression (MLR) established previously. The analysis of the effect on the substituents influencing the antidiabetic activity, fourteen (14) new molecules coded CDTH were generated and presenting values of the potential of inhibitory concentration higher than that of the base compound (pIC50 = 2.526). But thirteen (13) of these new compounds belong to the domain of applicability of the MLR model established previously. In addition, the thermodynamic quantities of formation formed at 298K have been calculated. Lipinski’s rule and pharmacokinetic properties proved that five (5) (TH4, TH9, TH10, TH13 and TH14) new molecules can be used as diabetes medicine.展开更多
6/3-（4-Chlorophenyl）-s-triazolo[3, 4-b][1, 3, 4]thiadiazoles （2,a-e） and （Sa-e） were synthesized respectively by intermolecular cyclization of 5-aryl / 4-chlorophenyl-4-amino-3- mercapto-1, 2, 4-triazoles （la-e...6/3-（4-Chlorophenyl）-s-triazolo[3, 4-b][1, 3, 4]thiadiazoles （2,a-e） and （Sa-e） were synthesized respectively by intermolecular cyclization of 5-aryl / 4-chlorophenyl-4-amino-3- mercapto-1, 2, 4-triazoles （la-e） and （4） with 4-chlorobenzoic acid / aryl acids, which were condensed with piperazine under phase transfer catalyst TBAB to yield the corresponding free bases of monopiperazine derivatives and followed to form water-soluble salts （3a-e） and （6a-e） with hydrochloric acid in good yields. The in vitro biological results showed that piperazine group conjugated with the above fused heterocycles played an important role in antibacterial activity. The structures of novel compounds were confirmed by IR, ＇H NMR, MS and elemental analysis.展开更多
The title compound 2-(((6-chloropyridin-3-yl)methyl)thio)-5-(pyridin-4-yl)-1,3,4-thiadiazole 5(C26H18Cl2N8S4) was synthesized, and its structure was confirmed by 1H NMR, MS and elemental analyses and X-ray diffraction...The title compound 2-(((6-chloropyridin-3-yl)methyl)thio)-5-(pyridin-4-yl)-1,3,4-thiadiazole 5(C26H18Cl2N8S4) was synthesized, and its structure was confirmed by 1H NMR, MS and elemental analyses and X-ray diffraction. It crystallizes in the triclinic system, space group P1 with a = 9.452(4), b = 12.335(4), c = 13.017(5) A, α = 90.624(5), β = 110.541(5), γ =104.879(4)°, Dc = 1.561 g/cm3, Z = 2, V = 1364.9(9) A3, F(000) = 656, the final R = 0.0300 and w R = 0.0635 for 4206 observed reflections with I 】 2σ(I). The preliminary biological test showed that the title compound has activities against Stemphylium lycopersici(Enjoji) Yamamoto, Fusarium oxysporum. sp. cucumebrium, and Botrytis cinerea with inhibitory activities to be 9.82%, 44.44% and 20.00%, respectively.展开更多
The crystal structure of the title compound, 2-isobutyl-6-(2?4?dichlorophenyl)- imidazo[2,1-b]-1,3,4-thiadiazole (C14H13Cl2N3S, Mr = 326.23), has been synthesized by the treatment of 2-amino-5-isobutyl-1,3,4-thiadiazo...The crystal structure of the title compound, 2-isobutyl-6-(2?4?dichlorophenyl)- imidazo[2,1-b]-1,3,4-thiadiazole (C14H13Cl2N3S, Mr = 326.23), has been synthesized by the treatment of 2-amino-5-isobutyl-1,3,4-thiadiazole with a-chloroaceto-2,4-dichlorophenone and determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/n with a = 12.483(7), b = 8.420(4), c = 14.998(8) ? b = 105.770(10)? V = 1517.0(14) 3, Z = 4, Dc = 1.428 g/cm3, S = 0.902, m(MoKa) = 0.558 mm-1, F (000) = 672, R = 0.0579 and wR = 0.1186. The X-ray analytic results showed that all ring atoms in the imidazothiadiazole moiety are almost coplanar. The dihedral angel between the phenyl group and hetero-cycle is 16.8(0.2)?展开更多
The crystal structure of the title compound 3 (4 Chloro 3 ethyl 1 methyl 1H pyrazol 5 yl) 6 (E)phenylvinyltriazolo[3,4 b] 1,3,4 thiadiazole (C 17 H 15 ClN 6S, M r =370.87) was determined by...The crystal structure of the title compound 3 (4 Chloro 3 ethyl 1 methyl 1H pyrazol 5 yl) 6 (E)phenylvinyltriazolo[3,4 b] 1,3,4 thiadiazole (C 17 H 15 ClN 6S, M r =370.87) was determined by single crystal X ray diffraction. The crystal is monoclinic, space group P2 1/n , a=10.862(2), b=11.541(2), c=14\^994(3), β=108.41(3)°, V=1783(1), Z=4, D x =1.381 g/cm -3 , μ =0.3361 mm -1 , and F (000)=768. The results confirmed that the title compound belongs to type E of stereochemistry. The dihedral angle between triazole and 1,3,4 thiadiaole ring is 3° and the torsion angle between 1,3,4 thiadiazole and pyrazole ring is 134.0°.展开更多
The title complex {[AgL]ClO4}n（L=2,5-bis（3-pyridinylmethylthio）-1,3,4-thiadiazole） was synthesized by the reaction of Ag（I） salt and a novel flexible ligand L.Its structure was determined by X-ray crystallograph...The title complex {[AgL]ClO4}n（L=2,5-bis（3-pyridinylmethylthio）-1,3,4-thiadiazole） was synthesized by the reaction of Ag（I） salt and a novel flexible ligand L.Its structure was determined by X-ray crystallography with the following data：monoclinic,space group P21/n,a=16.5068（13）,b=7.6548（4）,c=16.5521（13）A,β=115.119（3）o,V=1893.7（2）A^3,Z=4,Dc=1.893 g/cm^3,μ=1.565 mm^-1,F（000）=1072,C14H12AgClN4O4S3,Mr=539.78,T=293（2） K,S=1.067,the final R=0.0342 and wR=0.0870.The silver ion in the complex is in a trigonal coordination geometry to link three different L.Meanwhile,each L connects three different silver ions by its N coordination sites to form a two-dimensional layer structure.展开更多
The compound 3,6-bis（4-methyl-1,2,3-thiadiazol-5-yl）-1,2,4-triazolo[3,4-b][1,3,4] thiadiazole（C9H6N8S3,Mr = 322.40） has been synthesized by the reaction of 4-amino-3-（4-methyl-1,2,3-thiadiazolyl）-5-mercapto-1,2,...The compound 3,6-bis（4-methyl-1,2,3-thiadiazol-5-yl）-1,2,4-triazolo[3,4-b][1,3,4] thiadiazole（C9H6N8S3,Mr = 322.40） has been synthesized by the reaction of 4-amino-3-（4-methyl-1,2,3-thiadiazolyl）-5-mercapto-1,2,4-triazole with 4-methyl-1,2,3-thiadiazol-5-carboxylic acid and phosphorus oxychloride,and its structure was characterized by IR,1H NMR,EI-MS,elemental analysis and single-crystal X-ray diffraction.The crystal of the title compound belongs to monoclinic,space group C2/c with a = 2.0053（4）,b = 1.3081（3）, c = 1.0556（2） nm, β = 112.69（3）°,Z = 4, V= 2.5548（9） nm^3, Dc = 1.676 g/cm^3, μ= 0.582 mm^-1, F（000） = 1312, R = 0.0546 and wR = 0.1523. X-ray analysis indicates that all rings are essentially planar in this molecule, and an intermolecular hydrogen bond C（9）-H（9）…N（2） and weak intramolecular interactions between S（1）…N（7）, S（3）…N（1） and S（2）…N（4） are observed.展开更多
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
A series of 3,6-disubstituted s-triazolo[3,4-b]-1,3,4-thiadiazoles have been synthesized,whose structures were determined by elemental and spectral analyses;all the new compounds showed significant antibacterial activ...A series of 3,6-disubstituted s-triazolo[3,4-b]-1,3,4-thiadiazoles have been synthesized,whose structures were determined by elemental and spectral analyses;all the new compounds showed significant antibacterial activity.展开更多
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
The potassium dithiocarbazate 2 was obtained through condensation of 5-pyrazole hydrazide 1 with carbon disulfide in ethanolic potassium hydroxide. and its cyclization gave 5-pyrazolyl-1,3,4-thiadiazole-2-thione 3 in ...The potassium dithiocarbazate 2 was obtained through condensation of 5-pyrazole hydrazide 1 with carbon disulfide in ethanolic potassium hydroxide. and its cyclization gave 5-pyrazolyl-1,3,4-thiadiazole-2-thione 3 in concentrated sulfuric acid. Alkylation of 3 yielded 2-alkylthio-5-pyrazolyl-1,3,4-thiadiazole 4. The preliminary bioassay tests indicated that compounds 3 and 4 have fungicidal activity.展开更多
In pursuit for better antiepileptic drug and the importance of semicarbazones and 2,5-disubstituted 1,3,4-thiadiazoles as anticonvulsant pharmacophore, a series of novel N-（{5-[（6-methyl-l-benzofuran-3-yl）methyl]-l...In pursuit for better antiepileptic drug and the importance of semicarbazones and 2,5-disubstituted 1,3,4-thiadiazoles as anticonvulsant pharmacophore, a series of novel N-（{5-[（6-methyl-l-benzofuran-3-yl）methyl]-l,3,4-thiadiazol-2-yl}carba- mothioyl）-2/3/4-substitutedbenzamide were designed, synthesized and evaluated for their anticonvulsant activity. The findings of the present studies confirmed that the pharmacophore model with four binding sites is crucial for anticonvulsant activity. Structure-activity relationships among synthesized compounds were also established.展开更多
By the condensation of 2,6-bis（4-amino-5-mercapto-[1,2,4]-triazoles-2）pyridine with aromatic acid in the presence of phosphorus oxychloride. Compounds of 2,6-bis（6-aryl-[1,2,4]-triazolo[3,4-b][1,3,4]-thiadiazole-3...By the condensation of 2,6-bis（4-amino-5-mercapto-[1,2,4]-triazoles-2）pyridine with aromatic acid in the presence of phosphorus oxychloride. Compounds of 2,6-bis（6-aryl-[1,2,4]-triazolo[3,4-b][1,3,4]-thiadiazole-3-yl）pyridines were synthesized. Their structures were confirmed by IR, ^1H NMR spectroscopies and elemental analysis. Their electrochemical behavior and cyclic voltammogram also were be studied. The results showed that they have high ionization potentials and good affinity.展开更多
The title compound naphthalen-2-yl-4-methyl-1,2,3-thiadiazole-5-carboxylate （C 14 H 10 N 2 O 2 S,M r=270.31） was synthesized by the reaction of 4-methyl-1,2,3-thiadiazole-5-carbonyl chloride with 2-naphthol,and its ...The title compound naphthalen-2-yl-4-methyl-1,2,3-thiadiazole-5-carboxylate （C 14 H 10 N 2 O 2 S,M r=270.31） was synthesized by the reaction of 4-methyl-1,2,3-thiadiazole-5-carbonyl chloride with 2-naphthol,and its structure was characterized by IR,1 H NMR,high-resolution mass spectrometry and single-crystal X-ray diffraction.The crystal belongs to orthorhombic,space group Pbcn with a=23.475（5）,b=9.6640（19）,c=10.814（2）,β=90.00°,Z=8,V=2453.2（9） 3,M r=270.30,D c=1.464 g/cm 3,μ=0.262 mm-1,F（000）=1120,R=0.0444 and wR=0.1099.X-ray analysis revealed that the thiadiazole and naphthalene rings were non-planar,while the thiadiazole ring and the ester group were essentially planar,and two intermolecular hydrogen bonds C（6） H（6）···O（1） and C（14） H（14）···O（1） were observed.The preliminary biological test showed that the title compound had antifungal and antivirus activities against tobacco mosaic virus.展开更多
文摘Diabetes is a serious, long-term (or chronic) disease that occurs when a person’s blood sugar levels are high because their body cannot produce enough insulin, or does not produce enough insulin or that it cannot effectively use the insulin it produces. According to the literature, this disease has several causes, but certain types of diabetes such as type 2 diabetes are most closely linked to a metabolic disorder due to abdominal obesity. Thus, the number of individuals with type 2 diabetes is increasing. It is with this in mind that we work to improve human health. The aim of this study is to design new derivatives of 1,3,4-thiadiazole with improved antidiabetic activity by the mathematical model of multiple linear regression (MLR) established previously. The analysis of the effect on the substituents influencing the antidiabetic activity, fourteen (14) new molecules coded CDTH were generated and presenting values of the potential of inhibitory concentration higher than that of the base compound (pIC50 = 2.526). But thirteen (13) of these new compounds belong to the domain of applicability of the MLR model established previously. In addition, the thermodynamic quantities of formation formed at 298K have been calculated. Lipinski’s rule and pharmacokinetic properties proved that five (5) (TH4, TH9, TH10, TH13 and TH14) new molecules can be used as diabetes medicine.
基金This project was supported by the State Basic Research and Development Project(No.G1998051112).
文摘6/3-（4-Chlorophenyl）-s-triazolo[3, 4-b][1, 3, 4]thiadiazoles （2,a-e） and （Sa-e） were synthesized respectively by intermolecular cyclization of 5-aryl / 4-chlorophenyl-4-amino-3- mercapto-1, 2, 4-triazoles （la-e） and （4） with 4-chlorobenzoic acid / aryl acids, which were condensed with piperazine under phase transfer catalyst TBAB to yield the corresponding free bases of monopiperazine derivatives and followed to form water-soluble salts （3a-e） and （6a-e） with hydrochloric acid in good yields. The in vitro biological results showed that piperazine group conjugated with the above fused heterocycles played an important role in antibacterial activity. The structures of novel compounds were confirmed by IR, ＇H NMR, MS and elemental analysis.
基金funded by the National Natural Science Foundation of China(No.21002090)the Key Innovation Team of Science and Technology in Zhejiang Province(2010R50018-06)the National Key Technologies R&D Program(2011BAE06B03-01)
文摘The title compound 2-(((6-chloropyridin-3-yl)methyl)thio)-5-(pyridin-4-yl)-1,3,4-thiadiazole 5(C26H18Cl2N8S4) was synthesized, and its structure was confirmed by 1H NMR, MS and elemental analyses and X-ray diffraction. It crystallizes in the triclinic system, space group P1 with a = 9.452(4), b = 12.335(4), c = 13.017(5) A, α = 90.624(5), β = 110.541(5), γ =104.879(4)°, Dc = 1.561 g/cm3, Z = 2, V = 1364.9(9) A3, F(000) = 656, the final R = 0.0300 and w R = 0.0635 for 4206 observed reflections with I 】 2σ(I). The preliminary biological test showed that the title compound has activities against Stemphylium lycopersici(Enjoji) Yamamoto, Fusarium oxysporum. sp. cucumebrium, and Botrytis cinerea with inhibitory activities to be 9.82%, 44.44% and 20.00%, respectively.
基金The project was supported by NNSFC (20172031 29832050) the NSF of shandong province (Y2003B01) and the Fund for the Doctoral Program of Higher Education
文摘The crystal structure of the title compound, 2-isobutyl-6-(2?4?dichlorophenyl)- imidazo[2,1-b]-1,3,4-thiadiazole (C14H13Cl2N3S, Mr = 326.23), has been synthesized by the treatment of 2-amino-5-isobutyl-1,3,4-thiadiazole with a-chloroaceto-2,4-dichlorophenone and determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/n with a = 12.483(7), b = 8.420(4), c = 14.998(8) ? b = 105.770(10)? V = 1517.0(14) 3, Z = 4, Dc = 1.428 g/cm3, S = 0.902, m(MoKa) = 0.558 mm-1, F (000) = 672, R = 0.0579 and wR = 0.1186. The X-ray analytic results showed that all ring atoms in the imidazothiadiazole moiety are almost coplanar. The dihedral angel between the phenyl group and hetero-cycle is 16.8(0.2)?
文摘The crystal structure of the title compound 3 (4 Chloro 3 ethyl 1 methyl 1H pyrazol 5 yl) 6 (E)phenylvinyltriazolo[3,4 b] 1,3,4 thiadiazole (C 17 H 15 ClN 6S, M r =370.87) was determined by single crystal X ray diffraction. The crystal is monoclinic, space group P2 1/n , a=10.862(2), b=11.541(2), c=14\^994(3), β=108.41(3)°, V=1783(1), Z=4, D x =1.381 g/cm -3 , μ =0.3361 mm -1 , and F (000)=768. The results confirmed that the title compound belongs to type E of stereochemistry. The dihedral angle between triazole and 1,3,4 thiadiaole ring is 3° and the torsion angle between 1,3,4 thiadiazole and pyrazole ring is 134.0°.
基金Supported by the National Natural Science Foundation of China (Nos 20801004/B01, 20871016/B0101, 10876002/A06)the 111 Project (B07012)Excellent Young Scholars Research Fund of Beijing Institute of Technology (No 2006Y0715)
文摘The title complex {[AgL]ClO4}n（L=2,5-bis（3-pyridinylmethylthio）-1,3,4-thiadiazole） was synthesized by the reaction of Ag（I） salt and a novel flexible ligand L.Its structure was determined by X-ray crystallography with the following data：monoclinic,space group P21/n,a=16.5068（13）,b=7.6548（4）,c=16.5521（13）A,β=115.119（3）o,V=1893.7（2）A^3,Z=4,Dc=1.893 g/cm^3,μ=1.565 mm^-1,F（000）=1072,C14H12AgClN4O4S3,Mr=539.78,T=293（2） K,S=1.067,the final R=0.0342 and wR=0.0870.The silver ion in the complex is in a trigonal coordination geometry to link three different L.Meanwhile,each L connects three different silver ions by its N coordination sites to form a two-dimensional layer structure.
基金supported by the National Natural Science Foundation of China (Nos 20672062 and 20872071)the Natural Science Foundation of Tianjin (No 07JCYBJC01200)+1 种基金the International Collaboration Program of the National Natural Science Foundation of China (No 20911120069)International Collaboration Program of Tianjin on Science and Technology (No 07ZCGHHZ01400)
文摘The compound 3,6-bis（4-methyl-1,2,3-thiadiazol-5-yl）-1,2,4-triazolo[3,4-b][1,3,4] thiadiazole（C9H6N8S3,Mr = 322.40） has been synthesized by the reaction of 4-amino-3-（4-methyl-1,2,3-thiadiazolyl）-5-mercapto-1,2,4-triazole with 4-methyl-1,2,3-thiadiazol-5-carboxylic acid and phosphorus oxychloride,and its structure was characterized by IR,1H NMR,EI-MS,elemental analysis and single-crystal X-ray diffraction.The crystal of the title compound belongs to monoclinic,space group C2/c with a = 2.0053（4）,b = 1.3081（3）, c = 1.0556（2） nm, β = 112.69（3）°,Z = 4, V= 2.5548（9） nm^3, Dc = 1.676 g/cm^3, μ= 0.582 mm^-1, F（000） = 1312, R = 0.0546 and wR = 0.1523. X-ray analysis indicates that all rings are essentially planar in this molecule, and an intermolecular hydrogen bond C（9）-H（9）…N（2） and weak intramolecular interactions between S（1）…N（7）, S（3）…N（1） and S（2）…N（4） are observed.
基金funded in part by the National Natural Science Foundation of China(21372132)Nataliya P.Belskaya thanks Russian State Task of Ministry Education and Science No.4.560.2014K.Kalinina A.Tatiana thanks RFBF№13-03-00137
文摘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）.
文摘A series of 3,6-disubstituted s-triazolo[3,4-b]-1,3,4-thiadiazoles have been synthesized,whose structures were determined by elemental and spectral analyses;all the new compounds showed significant antibacterial activity.
基金funded in part by the NNSFC (Nos. 20872071, 20672062 and 20911120069)the NSF of Tianjin (10JCZDJC17500)+3 种基金the National Key Project for Basic Research (2010CB126105)the Foundation of Key Laboratory of Pesticide Chemistry and Application, Ministry of Agriculture (MOA) (No. MOAPCA200903)the Russian Foundation for Basic Research (grant numbers RFBR 08-03-00376a and RFBR/NNSF 08-03-92208a)the Foundation of Achievements Transformation and Spreading of Tianjin Agricultural Science and Technology (No. 201002250)
文摘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.
文摘The potassium dithiocarbazate 2 was obtained through condensation of 5-pyrazole hydrazide 1 with carbon disulfide in ethanolic potassium hydroxide. and its cyclization gave 5-pyrazolyl-1,3,4-thiadiazole-2-thione 3 in concentrated sulfuric acid. Alkylation of 3 yielded 2-alkylthio-5-pyrazolyl-1,3,4-thiadiazole 4. The preliminary bioassay tests indicated that compounds 3 and 4 have fungicidal activity.
文摘In pursuit for better antiepileptic drug and the importance of semicarbazones and 2,5-disubstituted 1,3,4-thiadiazoles as anticonvulsant pharmacophore, a series of novel N-（{5-[（6-methyl-l-benzofuran-3-yl）methyl]-l,3,4-thiadiazol-2-yl}carba- mothioyl）-2/3/4-substitutedbenzamide were designed, synthesized and evaluated for their anticonvulsant activity. The findings of the present studies confirmed that the pharmacophore model with four binding sites is crucial for anticonvulsant activity. Structure-activity relationships among synthesized compounds were also established.
文摘By the condensation of 2,6-bis（4-amino-5-mercapto-[1,2,4]-triazoles-2）pyridine with aromatic acid in the presence of phosphorus oxychloride. Compounds of 2,6-bis（6-aryl-[1,2,4]-triazolo[3,4-b][1,3,4]-thiadiazole-3-yl）pyridines were synthesized. Their structures were confirmed by IR, ^1H NMR spectroscopies and elemental analysis. Their electrochemical behavior and cyclic voltammogram also were be studied. The results showed that they have high ionization potentials and good affinity.
基金Supported by the National Natural Science Foundation of China (Nos. 20872071 and 20911120069)the Natural Science Foundation of Tianjin (10JCZDJC17500)+2 种基金the National Key Project for Basic Research (2010CB126105)the Key Laboratory of Pesticide Chemistry and Application,Ministry of Agriculture (MOA) (No. MOAPCA200903)the Russian Foundation for Basic Research (grant numbers RFBR 08-03-00376 a and RFBR/NNSF 08-03-92208 a)
文摘The title compound naphthalen-2-yl-4-methyl-1,2,3-thiadiazole-5-carboxylate （C 14 H 10 N 2 O 2 S,M r=270.31） was synthesized by the reaction of 4-methyl-1,2,3-thiadiazole-5-carbonyl chloride with 2-naphthol,and its structure was characterized by IR,1 H NMR,high-resolution mass spectrometry and single-crystal X-ray diffraction.The crystal belongs to orthorhombic,space group Pbcn with a=23.475（5）,b=9.6640（19）,c=10.814（2）,β=90.00°,Z=8,V=2453.2（9） 3,M r=270.30,D c=1.464 g/cm 3,μ=0.262 mm-1,F（000）=1120,R=0.0444 and wR=0.1099.X-ray analysis revealed that the thiadiazole and naphthalene rings were non-planar,while the thiadiazole ring and the ester group were essentially planar,and two intermolecular hydrogen bonds C（6） H（6）···O（1） and C（14） H（14）···O（1） were observed.The preliminary biological test showed that the title compound had antifungal and antivirus activities against tobacco mosaic virus.
