Citation:
LUO Zai-Gang, MA Chao, WU Li-Mei, YUAN Meng-Hong, XU Chuan-Hao, HU Jing-Song, XU Xue-Mei. Synthesis, Crystal Structure and Biological Activity of 25,27-Di(α,γ-diketo-p-methylphenylbutoxy)-26,28-dihydroxy p-tert-butylcalix[4]arene[J]. Chinese Journal of Structural Chemistry,
2014, 33(6): 865-870.
Synthesis, Crystal Structure and Biological Activity of 25,27-Di(α,γ-diketo-p-methylphenylbutoxy)-26,28-dihydroxy p-tert-butylcalix[4]arene
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)Å, β=112.257(7)°, C68H78NO8, Mr=1037.31, Dc=1.133 g/cm3, V=6076(6)Å3, 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.
English
Synthesis, Crystal Structure and Biological Activity of 25,27-Di(α,γ-diketo-p-methylphenylbutoxy)-26,28-dihydroxy p-tert-butylcalix[4]arene
Abstract:
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)Å, β=112.257(7)°, C68H78NO8, Mr=1037.31, Dc=1.133 g/cm3, V=6076(6)Å3, 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.
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Key words:
- p-tert-butylcalix[4]arene derivative
- / α,γ-diketo
- / synthesis
- / crystal structure
- / HIV-1 integrase
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