分类: 化学 >> 物理化学 提交时间: 2017-11-05 合作期刊: 《结构化学》
摘要: In order to discover the novel anti-tumor agents, a series of 2-[(pyridin-2-yl)methylthio]-1H-benzimidazole derivatives were designed and synthesized, and the structures were characterized by IR, MS, and proton NMR. 2-[(3,4-Dimethoxypyridin-2-yl)methylthio]-1H-benzimidazole was investigated with X-ray crystallography, and the molecule is in orthorhombic system, space group P212121, with a = 9.1828(16), b = 11.625(2), c = 13.463(2) � Z = 4, R = 0.0231 and wR = 0.0596. The antitumor activities of target compounds were evaluated against human liver cancer cell line HepG2, and human liver normal cell line HL7702 using MTT assay. The target compounds have demonstrated weak or moderate anti-tumor activity against HepG2, while all the target compounds exhibit no cytotoxic effects on HL7702.
分类: 化学 >> 物理化学 提交时间: 2017-11-05 合作期刊: 《结构化学》
摘要: The title compound, ethyl (R)-2-(biphenyl-4-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4- b]indole-1-carboxylate (C27H24N2O3) has been synthesized, and its structure was characterized by 1H-NMR, 13C-NMR, ESI-MS and single-crystal X-ray diffraction. It crystallizes in the orthorhombic system, space group Pbca with a = 16.9950(8), b = 9.5445(4), c = 28.3188(3) Å, V = 4593.6(3) Å3, Z = 8, T = 294.64(10) K, μ(MoKα) = 0.08 mm-1, Dc = 1.228 g/cm3, F(000) = 1792.0 and GOOF = 1.036. 11836 reflections were measured (7.04≤2θ≤52.04°), and 4506 were unique (Rint = 0.0393, Rsigma = 0.0546) and used in all calculations. The final R = 0.0576 (I > 2σ(I)) and wR = 0.1563 (all data). The preliminary biological tests show that the title compound has a good antitumor activity against Hela in vitro with the IC50 value of 4.71 μmol/L.