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

页码：1557 / 1562

页数：6

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