Citation: LUO Zai-Gang, ZHAO Yu, MA Chao, CAO Lu, AI Shao-Hua, HU Jin-Song, XU Xue-Mei. Synthesis, Crystal Structure and Anti-integrase Activity of 25,27-Bis[(Z)- 4-(p-methoxyphenyl)-4-hydroxybut-3-en- 2-one-1-methyl]-26,28-dihydroxycalix[4]arene[J]. Chinese Journal of Structural Chemistry, ;2014, 33(8): 1117-1122.
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The title compound (C50H44O10) was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/c with a=16.713(4), b=13.189(3), c=19.434(5) Å, β=104.411(4)°, Mr=804.85, Dc=1.288 g/cm3, V=4149.2(17) Å3, Z=4, F(000)=1696, μ(MoKa)=0.089 mm-1, T=296(2) K, 7279 independent reflections with 3172 observed ones (I>2σ(I)), R=0.0520 and wR=0.1203 with GOF=0.928 (R=0.1464 and wR=0.1657 for all data). The calixarene moiety maintains the symmetric cone conformation through intramolecular O-H…O hydrogen bonds. Preliminary bioassays indicated that the title compound has a potent inhibitory activity against the strand transfer process of HIV-1 integrase.
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