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4-{1-[(2,4-二硝基苯基)肼基]乙基}-5-(2-萘基甲氧基甲基)异恶唑-3-羧酸乙酯

Ethyl 4-{1-[(2,4-dinitro-phen-yl)hydrazono]eth-yl}-5-(2-naphthyl-methoxy-meth-yl)isoxazole-3-carboxyl-ate.

作者信息

Natale Nicholas R, Szabon-Watola Monica I, Twamley Brendan, Bridges Richard J, Patel Sarjubhai, Rajale Trideep

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 17;65(Pt 1):o144-5. doi: 10.1107/S1600536808041901.

DOI:10.1107/S1600536808041901
PMID:21581603
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968060/
Abstract

The title compound, C(26)H(23)N(5)O(8), was prepared and its structure investigated to further develop a working hypothesis for the essential binding pharmacophore for ligands of the System Xc- transporter [Patel et al. (2004 ▶). Neuropharmacology, 46, 273-284]. The hydrazone group displays an E geometry and the isoxazole double bond and C=N group of the hydrazone are in an s-cis relationship. The secondary amino NH group forms an intra-molecular N-H⋯O hydrogen bond to a ring nitro group. There is a dihedral angle of 44.27 (5)° between the isoxazole plane and the hydrazone group plane.

摘要

制备了标题化合物C(26)H(23)N(5)O(8)，并对其结构进行了研究，以进一步完善对系统Xc-转运体配体的必需结合药效团的有效假设[帕特尔等人（2004年▶）。《神经药理学》，46，273 - 284]。腙基团呈现E构型，异恶唑双键和腙的C=N基团呈s-顺式关系。仲氨基NH基团与一个环硝基形成分子内N-H⋯O氢键。异恶唑平面与腙基团平面之间的二面角为44.27 (5)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/98b4/2968060/5e2130499e9d/e-65-0o144-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/98b4/2968060/95a7a2757248/e-65-0o144-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/98b4/2968060/5e2130499e9d/e-65-0o144-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/98b4/2968060/95a7a2757248/e-65-0o144-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/98b4/2968060/5e2130499e9d/e-65-0o144-fig2.jpg

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