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  

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)

机构地区：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》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)

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.

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 

分 类 号：TQ460.1[化学工程—制药化工]