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

The title compound (C50H44O10) was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P2(1)/c with a = 16.713(4), b = 13.189(3), c = 19.434(5) angstrom, beta = 104.411(4)degrees, M-r = 804.85, D-c = 1.288 g/cm(3), V = 4149.2(17) angstrom(3), Z = 4, F(000) = 1696, mu(MoKa) = 0.089 mm(-1), T = 296(2) K, 7279 independent reflections with 3172 observed ones (I > 2 sigma(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 center dot center dot center dot O hydrogen bonds. Preliminary bioassays indicated that the title compound has a potent inhibitory activity against the strand transfer process of HIV-1 integrase.