Synthesis, Crystal Structure and Antitumor Activity of (E)-N-(4-Fluorobenzylidene)-3-(methylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine

被引：0
|
作者：
Lin Wei-Yuan [1 ]
Yang Fang [1 ]
Duan An-Na [1 ]
You Wen-Wei [1 ]
Zhao Pei-Liang [1 ]
机构：
[1] Southern Med Univ, Sch Pharmaceut Sci, Guangdong Prov Key Lab New Drug Screening, Guangzhou 510515, Guangdong, Peoples R China
来源：
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2018年 / 37卷 / 10期
基金：
中国国家自然科学基金;
关键词：
(E)-N-(4-fluorobenzylidene)-3-(methylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine; synthesis; crystal structure; antitumor activity; ONE-POT SYNTHESIS; BIOLOGICAL EVALUATION; ANTIPROLIFERATIVE ACTIVITY; SCHIFF-BASES; DESIGN; DOCKING;
D O I：
10.14102/j.cnki.0254-5861.2011-1967
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The crystal structure of the title compound (E)-N-(4-fluorobenzylidene)-3-(methylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine (C19H19FN4O3S, M-r = 402.44) was synthesized, and its structure was characterized by H-1-NMR, C-13-NMR, ESI-MS and single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P (1) over bar with a = 9.228(13), b = 10.364(14), c = 10.641(14) angstrom, alpha = 85.323(3), beta = 75.172(2), gamma = 80.903(3)degrees, mu = 0.20 mm(-1), M-r = 402.44, V = 970.64(10) angstrom(3), Z = 2, D-c = 1.377 g/cm(3), F(000) = 420, R = 0.0484 and wR = 0.1474 for 3181 observed reflections with I > 2 sigma(I). In addition, the preliminary bioassay indicated that the title compound 5 exhibits better inhibitory activity against Hela than 5-fluorouracil.
引用
收藏
页码：1557 / 1562
页数：6
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