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可能的舒林酸杂质2-(5-氟-2-甲基-1-茚-3-基)乙腈的晶体结构

Crystal structure of the possible sulindac impurity 2-(5-fluoro-2-methyl-1-inden-3-yl)aceto-nitrile.

作者信息

Yun-Deng Wu, Hui Wan, Yun Xia, Jie Ni, Jian Li, Hui Zhang, Xiang-Yang Xu, Jun Xie

机构信息

Technique Center, Jinling Pharmaceutical Company Limited, 58 Xingang Road Qixia, district, Nanjing, Jiangsu 210046, People's Republic of China.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Mar 27;81(Pt 4):341-344. doi: 10.1107/S2056989025002622. eCollection 2025 Apr 1.

DOI:10.1107/S2056989025002622
PMID:40200998
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11974336/
Abstract

The title compound,CHFN, was identified as a possible critical degradation impurity of sulindac, a therapeutic COX-2 inhibitor for rheumatoid arthritis. Single-crystal X-ray analysis revealed two conformationally slightly different mol-ecules in the asymmetric unit (' = 2), each containing an indene ring system. In the crystal structure, [100] chains formed through C-H⋯N inter-actions are connected into a tri-periodic supra-molecular structure by further C-H⋯F and C-H⋯π inter-actions through 2/ symmetry operations.

摘要

标题化合物CHFN被鉴定为舒林酸（一种用于治疗类风湿性关节炎的COX-2抑制剂）可能的关键降解杂质。单晶X射线分析表明，不对称单元（Z' = 2）中有两个构象略有不同的分子，每个分子都含有一个茚环系统。在晶体结构中，通过C-H⋯N相互作用形成的[100]链通过2/ 对称操作进一步通过C-H⋯F和C-H⋯π相互作用连接成三维超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/f5a7e26716f3/e-81-00341-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/93eb55a6b1c9/e-81-00341-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/1f0a29f8b1ce/e-81-00341-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/70eed4c59e1e/e-81-00341-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/d64507dba637/e-81-00341-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/f5a7e26716f3/e-81-00341-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/93eb55a6b1c9/e-81-00341-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/1f0a29f8b1ce/e-81-00341-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/70eed4c59e1e/e-81-00341-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/d64507dba637/e-81-00341-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d179/11974336/f5a7e26716f3/e-81-00341-fig5.jpg

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本文引用的文献

1
The Cambridge Structural Database.剑桥结构数据库。
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. doi: 10.1107/S2052520616003954. Epub 2016 Apr 1.
2
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination.用于单晶结构测定的银和钼微焦点X射线源的比较。
J Appl Crystallogr. 2015 Jan 30;48(Pt 1):3-10. doi: 10.1107/S1600576714022985. eCollection 2015 Feb 1.
3
Bis(2,4,7-trimethylindenyl)cobalt(II) and rac-2,2',4,4',7,7'-hexamethyl-1,1'-biindene.
双（2,4,7-三甲基茚基）钴（II）和外消旋-2,2',4,4',7,7'-六甲基-1,1'-联茚
Acta Crystallogr C. 2001 Sep;57(Pt 9):1056-9. doi: 10.1107/s010827010100974x. Epub 2001 Sep 11.
4
Cyclooxygenase-2 overexpression and tumor formation are blocked by sulindac in a murine model of familial adenomatous polyposis.在家族性腺瘤性息肉病的小鼠模型中，舒林酸可阻断环氧化酶-2的过表达及肿瘤形成。
Cancer Res. 1996 Jun 1;56(11):2556-60.