Synthesis, Crystal Structure and Antitumor Activity of N-(5-Aryl-1,3,4-thiadiazol-2-yl)-N'-((E)-styryl)ureas

13ureacrystalstructure
作者:宋新建; 王旭梅; 孙琦; 黄生田; 王艳 College; of; Chemistry; and; Environmental; Engineering; Sichuan; University; of; Science; and; Engineering; Zigong; 643000; China; School; of; Chemical; and; Environmental; Engineering; Hubei; University; for; Nationalities; Enshi; 445000; China

摘要:N-(5-Aryl-1,3,4-thiadiazol-2-yl)-N?-((E)-styryl)ureas 4 a~4 i were designed and synthesized as antitumor agents, and their structures were characterized by IR, 1 H NMR, 13 C NMR,MS and elemental analysis. The single crystal of compound 4 a, C17 H13 FN4 OS, was also determined by X-ray crystallography. Crystal data: monoclinic, space group P21/n, a = 4.9401(8), b= 8.7100(15), c = 36.604(6) A,β= 93.320(3)°, V = 1572.4(5) A3, Z = 4, F(000)= 704, Dc = 1.438 g/cm3,μ= 0.228 mm-1, R = 0.0600 and wR = 0.1448 for 2743 independent reflections(Rint =0.0418) and 2174 observed ones(I > 2σ(I)). The in vitro antitumor activities of compounds 4 a~4 i were preliminarily evaluated by the standard MTT assay.

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