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


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.

SUBMITTER: Natale NR 

PROVIDER: S-EPMC2968060 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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

Natale Nicholas R NR   Szabon-Watola Monica I MI   Twamley Brendan B   Bridges Richard J RJ   Patel Sarjubhai S   Rajale Trideep T  

Acta crystallographica. Section E, Structure reports online 20081217 Pt 1


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  ...[more]

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