Document Detail


Determination of the absolute configuration of aromatase and dual aromatase-sulfatase inhibitors by vibrational and electronic circular dichroism spectra analysis.
MedLine Citation:
PMID:  19161217     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
The absolute configuration of a newly designed, letrozole-based chiral aromatase inhibitor that could not be defined by crystallographic techniques has been determined by means of vibrational and electronic circular dichroism and by optical rotation measurements combined with density functional theory calculations on possible conformers. The same absolute configurational assignment can be applied to the individual enantiomeric sulfamate esters, which are derived from the corresponding enantiomers of the chirally separated parent phenols, based on the similarity of the ECD spectrum of the sulfamate derivative to that of its phenolic precursor. The two enantiomeric sulfamate esters studied here are the first examples of nonsteroidal dual aromatase-sulfatase inhibitor whose activities have been evaluated on optically resolved enantiomers.
Authors:
Sergio Abbate; Giovanna Longhi; Ettore Castiglioni; France Lebon; Paul M Wood; Lawrence W L Woo; Barry V L Potter
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Chirality     Volume:  21     ISSN:  1520-636X     ISO Abbreviation:  Chirality     Publication Date:  2009 Oct 
Date Detail:
Created Date:  2009-08-25     Completed Date:  2009-12-29     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  8914261     Medline TA:  Chirality     Country:  United States    
Other Details:
Languages:  eng     Pagination:  802-8     Citation Subset:  IM    
Copyright Information:
2009 Wiley-Liss, Inc.
Affiliation:
Dipartimento di Scienze Biomediche e Biotecnologie, Universit?? di Brescia, Brescia, Italy. abbate@med.unibs.it
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MeSH Terms
Descriptor/Qualifier:
Aromatase Inhibitors / chemistry*
Circular Dichroism
Electrons*
Halogenation
Models, Molecular
Molecular Conformation
Nitriles / chemistry
Optical Rotation
Stereoisomerism
Sulfatases / antagonists & inhibitors*
Triazoles / chemistry
Vibration*
Chemical
Reg. No./Substance:
0/Aromatase Inhibitors; 0/Nitriles; 0/Triazoles; 112809-51-5/letrozole; EC 3.1.6.-/Sulfatases

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


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