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环氧化酶-1选择性抑制剂SC-560

Cyclo-oxygenase-1-selective inhibitor SC-560.

作者信息

Long Sihui, Theiss Kathryn L, Li Tonglei, Loftin Charles D

机构信息

Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, Lexington, KY 40536, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 23;65(Pt 2):o360. doi: 10.1107/S1600536809001779.

DOI:10.1107/S1600536809001779
PMID:21581958
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968361/
Abstract

In the title compound, 5-(4-chloro-phen-yl)-1-(4-methoxy-phen-yl)-3-(trifluoro-meth-yl)-1H-pyrazole (SC-560), C(17)H(12)ClF(3)N(2)O, a COX-1-selective inhibitor, the dihedral angles between the heterocycle and the chlorobenzene and methoxybenzene rings are 41.66 (6) and 43.08 (7)°, respectively. The dihedral angle between the two phenyl rings is 59.94 (6)°. No classic hydrogen bonds are possible in the crystal, and intermolecular interactions must be mainly of the dispersion type. This information may aid the identification of dosage formulations with improved oral bioavailability.

摘要

在标题化合物5-(4-氯苯基)-1-(4-甲氧基苯基)-3-(三氟甲基)-1H-吡唑(SC-560)，即C(17)H(12)ClF(3)N(2)O中，一种COX-1选择性抑制剂，杂环与氯苯环和甲氧基苯环之间的二面角分别为41.66 (6)°和43.08 (7)°。两个苯环之间的二面角为59.94 (6)°。晶体中不可能形成经典氢键，分子间相互作用主要为色散型。这些信息可能有助于确定具有改善口服生物利用度的剂型。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2807/2968361/e804d2e94c0f/e-65-0o360-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2807/2968361/cb704161f639/e-65-0o360-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2807/2968361/e804d2e94c0f/e-65-0o360-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2807/2968361/cb704161f639/e-65-0o360-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2807/2968361/e804d2e94c0f/e-65-0o360-fig2.jpg

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