Synthesis, Crystal Structure and Antitumor Activities of Ethyl (R)-2-(Biphenyl-4-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate

分类： 化学 >> 物理化学 提交时间： 2017-11-05 合作期刊: 《结构化学》

HU Chun-Hong WEI Dui-Dui ZHAO Jing-Si HU Min-Min QI Sheng-Xiao SUN Xiao-Fei HE Dian

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.

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