Synthesis,Crystal Structure and Antitumor Activity of a New Indolequinone Derivative of Ursolic Acid

被引：1

作者：

郝云

华大威

苗婷婷

王石发

金晓燕

谷文

机构：

[1] JiangsuKeyLabofBiomass-basedGreenFuelsandChemicals,CollegeofChemicalEngineering,NanjingForestryUniversity

来源：

结构化学 | 2016年 / 35卷 / 08期

关键词：

ursolic acid; indolequinone; crystal structure; antitumor activity;

D O I：

10.14102/j.cnki.0254-5861.2011-1092

中图分类号：

O621.3 [有机合成化学]; TQ460.1 [基础理论];

学科分类号：

070303 ; 081704 ; 1007 ;

摘要：

The title compound(C37H48BrNO5, 6) was synthesized from ursolic acid and its crystal structure was determined by single-crystal X-ray diffraction analysis. The compound is of orthorhombic system, space group P212121 with a = 16.846（3）, b = 18.844（4）, c = 11.262（2） ?, Z =4, V = 3575.1（13） ?3, Mr = 666.67, Dc = 1.239 Mg/m3, S = 1.002, μ = 1.190 mm-1, F（000） = 1408,the final R = 0.0831 and wR = 0.1459 for 2286 observed reflections(I > 2σ（I）). The crystal structure is stabilized by two intermolecular hydrogen bonds(N–H（0A）···O（2） and O（1）–H（1A）···O（3）). In the preliminary antitumor assay, the title compound 6 exhibits potent cytotoxic activity against Hep G2 and SMMC-7721 cells with IC50 values of 1.64 ± 0.21 and 1.22 ± 0.13 μM, respectively.

引用

页码：1167 / 1173

页数：7

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