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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

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
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摘要 The crystal structure of the title compound(E)-N-(4-fluorobenzylidene)-3-(methylthio)-5-(3,4,5-trimethoxyphenyl)-4 H-1,2,4-triazol-4-amine(C_(19)H_(19)FN_4O_3S,Mr = 402.44) was synthesized,and its structure was characterized by 1 H-NMR,13 C-NMR,ESI-MS and single-crystal X-ray diffraction.The crystal belongs to the triclinic system,space group P1 with a = 9.228(13),b = 10.364(14),c = 10.641(14) ?,α = 85.323(3),β = 75.172(2),γ = 80.903(3)°,μ = 0.20 mm^(-1),M_r = 402.44,V = 970.64(10) ?~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 〉 2σ(I).In addition,the preliminary bioassay indicated that the title compound 5 exhibits better inhibitory activity against Hela than 5-fluorouracil.
作者 LIN Wei-Yuan YANG Fang DUAN An-Na YOU Wen-Wei ZHAO Pei-Liang 林伟源;杨芳;段安娜;游文玮;赵培亮(guangdong provincial key laboratory of new drug screening,school of pharmaceutical science,southern medical university,Guangzhou 510515,China)
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第10期1557-1562,共6页 结构化学(英文)
基金 supported by the National Natural Science Foundation of China(N0.21372113) the Guangzhou Science and Technology Project(No.201707010198)
关键词 (E)-N-(4-fluorobenzylidene)-3-(methylthio)-5-(3 4 5-trimethoxyphenyl)-4H-1 2 4-triazol-4-amine SYNTHESIS crystal structure anfitumor activity (E)-N-(4-fluorobenzylidene)-3-(methylthio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-amine synthesis crystal structure anfitumor activity
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