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Issue 7, 2014
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A full conformational characterization of antiandrogen cortexolone-17α-propionate and related compounds through theoretical calculations and nuclear magnetic resonance spectroscopy

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Abstract

Cortexolone-17α-propionate is a topical antiandrogen under investigation for the treatment of androgen-related skin disorders. A full conformational characterization was realized, in comparison with other steroidal androgens and antiandrogens, by means of theoretical calculations at the B3LYP/6-31G(d) level supported by high-field NMR analyses. All of the studied molecules showed a good overlay; nevertheless, the different functional groups present in the skeleton of the molecules drive the individual biological profile.

Graphical abstract: A full conformational characterization of antiandrogen cortexolone-17α-propionate and related compounds through theoretical calculations and nuclear magnetic resonance spectroscopy

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Article information


Submitted
07 Feb 2014
Accepted
04 Apr 2014
First published
04 Apr 2014

This article is Open Access

Med. Chem. Commun., 2014,5, 904-914
Article type
Concise Article
Author version available

A full conformational characterization of antiandrogen cortexolone-17α-propionate and related compounds through theoretical calculations and nuclear magnetic resonance spectroscopy

P. Ferraboschi, L. Legnani, G. Celasco, L. Moro, L. Ragonesi and D. Colombo, Med. Chem. Commun., 2014, 5, 904
DOI: 10.1039/C4MD00049H

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