Synthesis, Crystal Structure and Antitumor Activity of 4-tert-Butyl-N-（2-fluorophenyl）-5- （1H-1,2,4-triazol-1-yl）-thiazol-2-amine

• 作者: HU Ai-Xi LI Wan PENG Jun-Mei SHEN Fang YE Jiao
• 来源期刊: 结构化学
• 学科: 化学
• 关键词: 晶体结构 抗肿瘤活性 合成 苯基 三唑 单晶X-射线衍射 叔丁基 标题化合物
• 年，卷（期）: 2012,（12）
• 页码范围: 1782-1786
• 页数: 5页
• 分类号: O614.121|TQ463.5
• 语种: 英文

摘要

The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl- 1 - (1 H- 1,2,4-triazol- 1 -yl)butan-2-one with 1 -(2-fluorophenyl)thiourea, and its crystal struc- ture was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a = 15.2568(6), b = 12.1533(5), c = 16.7307(7) A, Z = 8, V = 3102.2(2) A3, Mr = 317.39, Dc = 1.359 g/cm3, S = 1.05, μ = 0.223 mm-1, F(000) = 1328, the final R = 0.034 and wR = 0.097 for 2590 observed reflections (I 〉 2σ(I)). X-ray crystal structure presents the intramolecular N-H…N hydrogen bond, which plays an important role in stabilizing the crystal structure. In addition, the preliminary biological test on the title compound shows good antitumor activity, with IC50 of 0.122 μmol/mL against the Hela cell line.

作者信息

序号	姓名	单位	发文数	被引次数	H指数	G指数
1	LI Wan		1	0	0.0	0.0
2	YE Jiao		1	0	0.0	0.0
3	SHEN Fang		1	0	0.0	0.0
4	PENG Jun-Mei		1	0	0.0	0.0
5	HU Ai-Xi		1	0	0.0	0.0