| Synthesis, Crystal Structure and Antitumor Activity of （E）-4-tert-Butyl-N-（2,4-dichlorobenzylidene）-5-（1,2,4-triazol-1-yl）-thiazol-2-amine |
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| 引用本文： | HU,Ai-Xi QIN,Zhi YE,Jiao XIA,Shu. Synthesis, Crystal Structure and Antitumor Activity of （E）-4-tert-Butyl-N-（2,4-dichlorobenzylidene）-5-（1,2,4-triazol-1-yl）-thiazol-2-amine[J]. 结构化学, 2010, 29(11): 1680-1683 |
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| 作者姓名： | HU Ai-Xi QIN Zhi YE Jiao XIA Shu |
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| 作者单位： | College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, China |
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| 基金项目： | Supported bythe Natural Science Foundation of Hunan Province （No. 07JJ302） |
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| 摘 要： | The title compound (E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-(1,2,4-triazol-1-yl)-thiazol-2-amine with 2,4-dichlorobenzaldehyde, and its crystal structure was determined by singlecrystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 7.9748(4), b = 10.1803(5), c = 11.4603(6), α = 102.882(1), β = 100.253(1), γ = 104.457(1)°, V = 850.95(7)3, Z = 2, F(000) = 392, C16H15Cl2N5S, Mr = 380.29, Dc = 1.484 g/cm3, S = 1.095, μ = 0.512 mm-1, the final R = 0.0301 and wR = 0.0965 for 3334 observed reflections (I 2σ(I)). The preliminary antitumor activity shows that for the title compound the IC50 of Hela is 0.175 μmol/mL and that of Bel7402 is 0.156 μmol/mL.
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| 关 键 词： | 晶体结构测定 抗肿瘤活性 对叔丁基 合成反应 三唑 噻唑 标题化合物 氨基 |
Synthesis, Crystal Structure and Antitumor Activity of (E)-4-tert-Butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine |
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| HU Ai-Xi,QIN Zhi,YE Jiao,XIA Shu. Synthesis, Crystal Structure and Antitumor Activity of (E)-4-tert-Butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine[J]. Chinese Journal of Structural Chemistry, 2010, 29(11): 1680-1683 |
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| Authors: | HU Ai-Xi QIN Zhi YE Jiao XIA Shu |
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| Abstract: | The title compound(E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-(1,2,4-triazol-1-yl)-thia-zol-2-amine with 2,4-dichlorobenzaldehyde,and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the triclinic system,space group P-1 with a=7.9748(4),b=10.1803(5),c=11.4603(6)(A),a=102.882(1),β=100.253(1),γ=104.457(1)°,V=850.95(7)(A)3,Z=2,F(000)=392,C16H15Cl2N5S,Mr=380.29,Dc=1.484 g/cm3,S=1.095,μ=0.512 mm-1,the final R=0.0301 and wR=0.0965 for 3334 observed reflections(I>2σ(I)).The preliminary antitumor activity shows that for the title compound the IC50 of Hela is 0.175μmol/mL and that of Bel7402 is 0.156 μmol/mL. |
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| Keywords: | (E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine crystal structure synthesis anfitumor activity |
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