A method of synthesis of 4,6-disubstituted 5-thioxo-1,2,4-triazin- 3-ones from benzothioformanilides and semicarbazide is described.And six new compounds were synthesized by this method.
2-Thioxo-1,2-dihydrobenzo[d][1,3]thiazin-4-one （TDBTO）, a new thiazin-one derivative, was synthesized and investigated. The crystal structure of TDBTO （CsHsNOS2, Mr = 193.8） was determined by single-crystal X-ray ...2-Thioxo-1,2-dihydrobenzo[d][1,3]thiazin-4-one （TDBTO）, a new thiazin-one derivative, was synthesized and investigated. The crystal structure of TDBTO （CsHsNOS2, Mr = 193.8） was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 6.946（3）, b = 7.402（3）, c = 8.954（4）A, α = 66.931（7）°,β = 89.866（7）°, γ = 72.289（7）°, V = 399.8（3） A^3, Z = 2, Mr = 195.25, Dc = 1.622 g/cm^3,μ = 0.606 mm^-1, F（000） = 200, R = 0.0361 and wR = 0.1032. There exist intermolecular hydrogen bond of N（1）-H（1A）-..O（1） and weak C（6）-H（6A）...O（1） contact in the structure as well as face-to-face π-π stacking interactions between the benzene ring and the thiazin ring of an adjacent benzothiazin unit. The photoinduced proton transfer reaction, transforming the initial thione into thiol form, was found, and the latter form was characterized by UV absorption spectra, fluo-rescence spectra and infrared spectra.展开更多
A simple condensation afforded some new 3-thioxo-1,2,4-triazin-5-one derivatives (4, 6 and 8). Utilizing a facile condensation of (E)-4-(4’-bromo styryl)-2-oxo-3-buteneoic acid with thiosemicarbazide, dithioic formic...A simple condensation afforded some new 3-thioxo-1,2,4-triazin-5-one derivatives (4, 6 and 8). Utilizing a facile condensation of (E)-4-(4’-bromo styryl)-2-oxo-3-buteneoic acid with thiosemicarbazide, dithioic formic acid hydrazide, and thiocarbahydrazide in different conditions. Structures of these compounds were confirmed by elemental and spectral analysis. The preliminary biocidal activity of these products were evaluated against some microbial and compared to Mycostatine and piperacillin as antibiotics were most of derivatives exhibited good activity.展开更多
We designed and synthesized a series of 2-thioxo-4-thiazolidinone derivatives and evaluated them on peroxisome proliferator activated receptor γ（PPARγ） binding activities.Through the biological assays,compounds 18...We designed and synthesized a series of 2-thioxo-4-thiazolidinone derivatives and evaluated them on peroxisome proliferator activated receptor γ（PPARγ） binding activities.Through the biological assays,compounds 18 and 38 were highlighted with K_i values of 12.15 nmol/Land 14.46 nmol/L,respectively.Then structure-activity relationship（SAR） was analyzed to screen privileged structural modifications.Moreover,molecular fitting of these compounds onto the approved drug Rosightazone in the PPARγligand binding domain was performed to elucidate the SAR and explore potential receptor-ligand interactions.These results demonstrate that the 2-thioxo-4-thiazolidinones can be considered as new promising molecular probes with excellent binding activities to PPARγ.展开更多
A practical and straightforward protocol has been developed for the preparation of 2-thioxo-2,3-dihydroquinazolin-4（1H）-one derivatives from dithiocarbamate chemistry. The method involves the reaction of anthranilic...A practical and straightforward protocol has been developed for the preparation of 2-thioxo-2,3-dihydroquinazolin-4（1H）-one derivatives from dithiocarbamate chemistry. The method involves the reaction of anthranilic acid derivatives（2-aminobenzoic acid, 2-aminobenzamide and isatoic anhydride）with various dithiocarbamate derivatives using ethanol as solvent. The main advantages of this protocol include practical simplicity, good to high yields, and ease of product isolation, purification and cheapness of the solvent.展开更多
文摘A method of synthesis of 4,6-disubstituted 5-thioxo-1,2,4-triazin- 3-ones from benzothioformanilides and semicarbazide is described.And six new compounds were synthesized by this method.
基金the National Basic Research Program of China(973Program,2007CB815301)NSF(No.20721001and20571062)the Science&Technique Innovation Project of Xiamen University(No.K77025)
文摘2-Thioxo-1,2-dihydrobenzo[d][1,3]thiazin-4-one （TDBTO）, a new thiazin-one derivative, was synthesized and investigated. The crystal structure of TDBTO （CsHsNOS2, Mr = 193.8） was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 6.946（3）, b = 7.402（3）, c = 8.954（4）A, α = 66.931（7）°,β = 89.866（7）°, γ = 72.289（7）°, V = 399.8（3） A^3, Z = 2, Mr = 195.25, Dc = 1.622 g/cm^3,μ = 0.606 mm^-1, F（000） = 200, R = 0.0361 and wR = 0.1032. There exist intermolecular hydrogen bond of N（1）-H（1A）-..O（1） and weak C（6）-H（6A）...O（1） contact in the structure as well as face-to-face π-π stacking interactions between the benzene ring and the thiazin ring of an adjacent benzothiazin unit. The photoinduced proton transfer reaction, transforming the initial thione into thiol form, was found, and the latter form was characterized by UV absorption spectra, fluo-rescence spectra and infrared spectra.
文摘A simple condensation afforded some new 3-thioxo-1,2,4-triazin-5-one derivatives (4, 6 and 8). Utilizing a facile condensation of (E)-4-(4’-bromo styryl)-2-oxo-3-buteneoic acid with thiosemicarbazide, dithioic formic acid hydrazide, and thiocarbahydrazide in different conditions. Structures of these compounds were confirmed by elemental and spectral analysis. The preliminary biocidal activity of these products were evaluated against some microbial and compared to Mycostatine and piperacillin as antibiotics were most of derivatives exhibited good activity.
基金supported by the National Natural Science Foundation of China(Nos.81072627,81230090 and 81222046)Shanghai Committee of Science and Technology(Nos.12431900901 and 12401900801)the Fundamental Research Funds for the Central Universities(111 Project,No.B07023)
文摘We designed and synthesized a series of 2-thioxo-4-thiazolidinone derivatives and evaluated them on peroxisome proliferator activated receptor γ（PPARγ） binding activities.Through the biological assays,compounds 18 and 38 were highlighted with K_i values of 12.15 nmol/Land 14.46 nmol/L,respectively.Then structure-activity relationship（SAR） was analyzed to screen privileged structural modifications.Moreover,molecular fitting of these compounds onto the approved drug Rosightazone in the PPARγligand binding domain was performed to elucidate the SAR and explore potential receptor-ligand interactions.These results demonstrate that the 2-thioxo-4-thiazolidinones can be considered as new promising molecular probes with excellent binding activities to PPARγ.
基金the Chemistry and Chemical Engineering Research Center of Iran is gratefully appreciated
文摘A practical and straightforward protocol has been developed for the preparation of 2-thioxo-2,3-dihydroquinazolin-4（1H）-one derivatives from dithiocarbamate chemistry. The method involves the reaction of anthranilic acid derivatives（2-aminobenzoic acid, 2-aminobenzamide and isatoic anhydride）with various dithiocarbamate derivatives using ethanol as solvent. The main advantages of this protocol include practical simplicity, good to high yields, and ease of product isolation, purification and cheapness of the solvent.
