Synthesis,Crystal Structure and Biological Activity of 25,27-Di(α,γ-diketo-p-methylphenylbutoxy)-26,28-dihydroxy p-tert-butylcalix[4]arene  

作　　者：罗再刚 马超 吴丽梅 袁梦鸿 徐传豪 胡劲松 徐雪梅 

机构地区：[1]College of Chemical Engineering, Anhui University of Science & Technology

出　　处：《Chinese Journal of Structural Chemistry》2014年第6期865-870,共6页结构化学（英文）

基　　金：supported by the National Natural Science Foundation of China(No.21102003);National Students'Innovation and Entrepreneurship Training Program(No.201210361094);Scientific Research Foundation for the Introduction of Talent;Young Teachers Scientific Research Foundation of Anhui University of Science&Technology(11214,2012QNY27)

摘　　要：The title complex（C66H76O8·CH3CN） was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/c with a = 22.384（13）, b = 13.413（7）, c = 21.867（12）, β = 112.257（7）°, C68H78NO8, Mr = 1037.31, Dc = 1.133 g/cm3, V = 6076（6） 3, Z = 4, F（000） = 2224, μ（MoKa） = 0.073 mm-1, T = 296（2） K, 10276 independent reflections with 5469 observed ones（I 〉 2σ（I））, R = 0.0797 and wR = 0.2316 with GOF = 1.027（R = 0.1442 and wR = 0.2689 for all data）. The calixarene moiety maintains the symmetric cone conformation through intramolecular O–H···O hydrogen bonds. The inhibition of the strand transfer process of HIV-1 integrase of the title compound was also evaluated. Preliminary bioassays indicated that it has a low inhibition ratio（24.85%） at the concentration of 50 μM.The title complex（C66H76O8·CH3CN） was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/c with a = 22.384（13）, b = 13.413（7）, c = 21.867（12）, β = 112.257（7）°, C68H78NO8, Mr = 1037.31, Dc = 1.133 g/cm3, V = 6076（6） 3, Z = 4, F（000） = 2224, μ（MoKa） = 0.073 mm-1, T = 296（2） K, 10276 independent reflections with 5469 observed ones（I 〉 2σ（I））, R = 0.0797 and wR = 0.2316 with GOF = 1.027（R = 0.1442 and wR = 0.2689 for all data）. The calixarene moiety maintains the symmetric cone conformation through intramolecular O–H···O hydrogen bonds. The inhibition of the strand transfer process of HIV-1 integrase of the title compound was also evaluated. Preliminary bioassays indicated that it has a low inhibition ratio（24.85%） at the concentration of 50 μM.

关 键 词：arene derivative α γ-diketo SYNTHESIS crystal structure HIV-1 integrase 

分 类 号：O621.3[理学—有机化学] O741.6[理学—化学]