Document Detail


Synthesis and characterization of 3-arylquinazolinone and 3-arylquinazolinethione derivatives as selective estrogen receptor beta modulators.
MedLine Citation:
PMID:  16610787     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
On the basis of the stucture of genistein, a new series of 3-arylquinazolines was prepared and tested for their estrogen receptor (ER) alpha and beta affinities. 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4(3H)-quinazolinone (1aa) acts as an agonist on both ER subtypes. It has 62-fold higher binding affinity [IC(50)(ERbeta) = 179 nM] and 38-fold higher functional potency in a transcription assay [EC(50)(ERbeta) = 76 nM] with ERbeta than with ERalpha, thus improving upon the selectivity of genistein. All of the analogues showed preferential binding affinity for ERbeta. Many are also more potent in activating transcription by ERbeta than by ERalpha. Transformation of the C=O functionality at position 4 into a C=S group provided 5,7-dihydroxy-3-(4-hydroxyphenyl)-4(3H)-quinazolinethione (1ba), which acts as an agonist on both ER subtypes but has 56-fold higher binding affinity for ERbeta over ERalpha [IC(50)(ERbeta) = 47 nM] and 215-fold higher potency in the transcription assay [EC(50)(ERbeta) = 13 nM]. These ERbeta-selective compounds may represent valuable tools in understanding the differences in structure and biological function of ERbeta and ERalpha.
Authors:
Timur Güngör; Ying Chen; Rajasree Golla; Zhengping Ma; James R Corte; John P Northrop; Bin Bin; John K Dickson; Terry Stouch; Rong Zhou; Susan E Johnson; Ramakrishna Seethala; Jean H M Feyen
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Journal of medicinal chemistry     Volume:  49     ISSN:  0022-2623     ISO Abbreviation:  J. Med. Chem.     Publication Date:  2006 Apr 
Date Detail:
Created Date:  2006-04-13     Completed Date:  2006-05-22     Revised Date:  2007-11-15    
Medline Journal Info:
Nlm Unique ID:  9716531     Medline TA:  J Med Chem     Country:  United States    
Other Details:
Languages:  eng     Pagination:  2440-55     Citation Subset:  IM    
Affiliation:
Department of Chemistry, Bristol-Myers Squibb Pharmaceutical Research Institute, P.O. Box 4000, Princeton, NJ 08543-4000, USA. timur.gungor@bms.com
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MeSH Terms
Descriptor/Qualifier:
Binding Sites
Binding, Competitive
Estrogen Receptor Modulators / chemical synthesis,  chemistry*,  pharmacology
Estrogen Receptor alpha / agonists*,  chemistry
Estrogen Receptor beta / agonists*,  chemistry
Molecular Structure
Quinazolines / chemical synthesis,  chemistry*,  pharmacology
Quinazolinones
Stereoisomerism
Structure-Activity Relationship
Thiones / chemical synthesis,  chemistry*,  pharmacology
Chemical
Reg. No./Substance:
0/5,7-dihydroxy-3-(4-hydroxyphenyl)-4(3H)-quinazolinone; 0/Estrogen Receptor Modulators; 0/Estrogen Receptor alpha; 0/Estrogen Receptor beta; 0/Quinazolines; 0/Quinazolinones; 0/Thiones

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