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. shu

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

1.
College of Chemical Engineering, Anhui University of Science & Technology, Huainan, Anhui 232001, China

Received Date: 8 January 2014
Available Online: 9 April 2014
Fund Project: This work was supported by the National Natural Science Foundation of China (No. 21102003) (No. 21102003) Scientific Research Foundation for the Introduction of Talent and Young Teachers Scientific Research Foundation of Anhui University of Science & Technology (11214, 2012QNY27) (No. 201210361094)

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)°, M_r=804.85, D_c=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.
- calix[4]arene derivative,
- 1,3-diketo,
- HIV-1 integrase,
- crystal structure
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