| Synthesis,Crystal Structure and Antitumor Activity of N-（4-tert-butyl-5-（4-chlorobenzyl）thiazol-2-yl）-2,6-difluorobenzamide |
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| 引用本文： | 申坤,彭俊梅,李婉,颜晓维,胡艾希.Synthesis,Crystal Structure and Antitumor Activity of N-（4-tert-butyl-5-（4-chlorobenzyl）thiazol-2-yl）-2,6-difluorobenzamide[J].结构化学,2014,33(6):54-57. |
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| 作者姓名： | 申坤 彭俊梅 李婉 颜晓维 胡艾希 |
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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： | Project supported by the National Technology R&;D Program(No.2011 BAE06B01) |
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| 摘 要： | The title compound was synthesized by the reaction of 4-tert-butyl-5-(4-chlorobenzyl)-2-aminothiazole with 2,6-difluorobenzoic acid. The crystal structure of the title compound, C21H19ClF2N2OS, was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group Pbca with a = 12.6479(13), b = 13.1204(13), c = 14.1341(15), Z = 4, V = 2011.5(4)3, Mr = 420.89, Dc = 1.390 g/cm3, S = 1.023, μ = 0.326 mm-1, F(000) = 872, the final R = 0.0365 and wR = 0.0880 for 6101 observed reflections(I 2σ(I)), and R = 0.0507, wR = 0.0978 for 7779 independent reflections. X-ray crystal structure displays that the hydrogen bonding interactions observed link the molecules to form a dimeric unit. The preliminary biological test of the title compound shows good antitumor activity, with IC50 of 0.046 μmol/mL against the Hela cell line.
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| 关 键 词： | X射线晶体结构 抗肿瘤活性 氨基噻唑 二氟苯甲酰胺 叔丁基 苄基 合成 标题化合物 |
Synthesis,Crystal Structure and Antitumor Activity of N-(4-tert-butyl-5-(4-chlorobenzyl)thiazol-2-yl)-2,6-difluorobenzamide |
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| SHEN Kun
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PENG Jun-Mei
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LI Wan
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YAN Xiao-Wei
,
HU Ai-Xi.Synthesis,Crystal Structure and Antitumor Activity of N-(4-tert-butyl-5-(4-chlorobenzyl)thiazol-2-yl)-2,6-difluorobenzamide[J].Chinese Journal of Structural Chemistry,2014,33(6):54-57. |
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| Authors: | SHEN Kun PENG Jun-Mei LI Wan YAN Xiao-Wei HU Ai-Xi |
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| Institution: | College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, China |
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| Abstract: | N-（4-tert-butyl-5-（4-chlorobenzyl）thiazol-2-yl）-2,6-difluorobenzamide,synthesis,crystal structure,antitumor activity |
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| Keywords: | N-(-tert-butyl--(-chlorobenzyl)thiazol--yl)- -difluorobenzamide synthesis crystal structure antitumor activity |
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