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2-（3,4-二甲基-5,5-二氧代-2H,4H-吡唑并-[4,3-c][1,2]苯并噻嗪-2-基）乙酸

2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zin-2-yl)acetic acid.

作者信息

Aslam Sana, Siddiqui Hamid Latif, Ahmad Matloob, Zia-Ur-Rehman Muhammad, Parvez Masood

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1970-1. doi: 10.1107/S1600536812023677. Epub 2012 May 31.

DOI:10.1107/S1600536812023677
PMID:22719716
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379518/
Abstract

In the title mol-ecule, C(13)H(13)N(3)O(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation in which the S and an adjacent C atom are displaced by 0.919 (3) and 0.300 (4) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean planes of the benzene and pyrazole rings are inclined at a dihedral angle of 18.32 (12)° with respect to each other. The acetate group is oriented at 80.75 (8)° with respect to the pyrazole ring. The crystal structure is stabilized by O-H⋯N and C-H⋯O hydrogen bonds, resulting in fused eight- and seven-membered rings with R(2) (2)(8) and R(2) (2)(7) graph-set motifs, respectively.

摘要

在标题分子C(13)H(13)N(3)O(4)S中，杂环噻嗪环呈半椅式构象，其中S原子和一个相邻的C原子分别在由其余环原子形成的平均平面的同一侧偏离0.919 (3) Å和0.300 (4) Å。苯环和吡唑环的平均平面相互间呈18.32 (12)°的二面角。乙酸酯基团相对于吡唑环的取向为80.75 (8)°。晶体结构通过O—H⋯N和C—H⋯O氢键得以稳定，分别形成具有R(2) (2)(8)和R(2) (2)(7)图形集 motif的稠合八元环和七元环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/935a/3379518/802b0c75e94c/e-68-o1970-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/935a/3379518/64a02e5f48ea/e-68-o1970-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/935a/3379518/802b0c75e94c/e-68-o1970-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/935a/3379518/64a02e5f48ea/e-68-o1970-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/935a/3379518/802b0c75e94c/e-68-o1970-fig2.jpg

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本文引用的文献

1
N-(2-Chloro-phen-yl)-4-hydr-oxy-2H-1,2-benzothia-zine-3-carboxamide 1,1-dioxide.
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 29;65(Pt 9):o2279-80. doi: 10.1107/S1600536809033972.
2
Anti-oxidant and anti-bacterial activities of novel N'-arylmethylidene-2-(3, 4-dimethyl-5, 5-dioxidopyrazolo[4,3-c][1,2]benzothiazin-2(4H)-yl) acetohydrazides.新型 N'-芳基亚甲基-2-(3,4-二甲基-5,5-二氧代吡唑并[4,3-c][1,2]苯并噻嗪-2(4H)-基)乙酰腙的抗氧化和抗菌活性。
Eur J Med Chem. 2010 Feb;45(2):698-704. doi: 10.1016/j.ejmech.2009.11.016. Epub 2009 Nov 11.
3
N-(X-chlorophenyl)-4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide (with X = 2 and 4).N-（X-氯苯基）-4-羟基-2-甲基-2H-1,2-苯并噻嗪-3-甲酰胺 1,1-二氧化物（X = 2 和 4）
Acta Crystallogr C. 2008 Jan;64(Pt 1):o4-6. doi: 10.1107/S0108270107059173. Epub 2007 Dec 14.
4
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
5
Gastrointestinal toxicity with celecoxib vs nonsteroidal anti-inflammatory drugs for osteoarthritis and rheumatoid arthritis: the CLASS study: A randomized controlled trial. Celecoxib Long-term Arthritis Safety Study.塞来昔布与非甾体抗炎药治疗骨关节炎和类风湿关节炎的胃肠道毒性：CLASS研究：一项随机对照试验。塞来昔布长期关节炎安全性研究。
JAMA. 2000 Sep 13;284(10):1247-55. doi: 10.1001/jama.284.10.1247.
6
A review of the clinical pharmacokinetics of meloxicam.美洛昔康的临床药代动力学综述。
Br J Rheumatol. 1996 Apr;35 Suppl 1:13-6. doi: 10.1093/rheumatology/35.suppl_1.13.
7
1,2-benzothiazines. 6. 3-Carbamoyl-4-hydroxy-2H-1,2-benzothiazine 1,1-dioxides as antiinflammatory agents.
J Med Chem. 1973 Jan;16(1):44-8. doi: 10.1021/jm00259a013.
8
Potent anti-inflammatory N-heterocyclic 3-carboxamides of 4-hydroxy-2-methyl-2H-1,2-benzothiazine 1,1-dioxide.
J Med Chem. 1973 May;16(5):493-6. doi: 10.1021/jm00263a017.