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消旋-2-(2-氨基-4-氧代-4,5-二氢-1,3-噻唑-5-基)-2-羟基茚满-1,3-二酮

rac-2-(2-Amino-4-oxo-4,5-dihydro-1,3-thia-zol-5-yl)-2-hydroxy-indane-1,3-dione.

作者信息

Penthala Narsimha Reddy, Reddy Thirupathi Reddy Yerram, Parkin Sean, Crooks Peter A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1877. doi: 10.1107/S1600536809025574.

DOI:10.1107/S1600536809025574
PMID:21583571
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977222/
Abstract

In the crystal of the title compound, C(12)H(8)N(2)O(4)S, mol-ecules are linked into chains by a series of inter-molecular O-H⋯O, N-H⋯O and N-H⋯N hydrogen bonds. The ninhydrin and amino-thia-zolidine units make a dihedral angle of 66.41 (3)°. The crystal structure indicates the presence of equimolar R and S enanti-omers in the crystal lattice, due to the presence of a chiral centre in the title compound.

摘要

在标题化合物C(12)H(8)N(2)O(4)S的晶体中，分子通过一系列分子间的O-H⋯O、N-H⋯O和N-H⋯N氢键连接成链。茚三酮和氨基噻唑烷单元形成的二面角为66.41 (3)°。晶体结构表明，由于标题化合物中存在一个手性中心，晶格中存在等摩尔的R和S对映体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a08/2977222/0078af455763/e-65-o1877-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a08/2977222/430ce5f231cd/e-65-o1877-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a08/2977222/0078af455763/e-65-o1877-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a08/2977222/430ce5f231cd/e-65-o1877-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a08/2977222/0078af455763/e-65-o1877-fig2.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
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NADPH oxidase activity is essential for Keap1/Nrf2-mediated induction of GCLC in response to 2-indol-3-yl-methylenequinuclidin-3-ols.NADPH氧化酶活性对于Keap1/Nrf2介导的在响应2-吲哚-3-基亚甲基奎宁环-3-醇时诱导谷氨酸半胱氨酸连接酶催化亚基（GCLC）至关重要。
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