Discovery and optimisation of a potent and selective tertiary sulfonamide oxytocin antagonist

The optimisation of a tertiary sulfonamide high-throughput screening hit is described. A combination of high-throughput chemistry, pharmacophore analysis and in silico PK profiling resulted in the discovery of potent sulfonamide oxytocin receptor antagonists with oral exposure and good selectivity o...

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Bibliographic Details
Published in:	Bioorganic & medicinal chemistry letters Vol. 19; no. 2; pp. 528 - 532
Main Authors:	Barton, Nicholas P., Bellenie, Benjamin R., Doran, Andrew T., Emmons, Amanda J., Heer, Jag P., Salvagno, Cristian M.
Format:	Journal Article
Language:	English
Published:	Amsterdam Elsevier Ltd 15-01-2009 Elsevier
Subjects:	Administration, Oral Biological and medical sciences Drug Discovery Hormones. Endocrine system HTS Medical sciences Models, Molecular Oxytocin Oxytocin - antagonists & inhibitors Pharmacology. Drug treatments Pharmacophore Sulfonamides - administration & dosage Sulfonamides - chemistry Sulfonamides - pharmacology Oxytocin Pharmacophore HTS Five membered ring Sulfonamide Oxytocin receptor Nitrogen heterocycle Benzene derivatives Oral administration Non peptide compound Selectivity In vitro Modeling Pyridine derivatives In vivo Structure activity relation Six membered ring Antagonist Pharmacokinetics Chemical synthesis Hormonal receptor
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Summary:	The optimisation of a tertiary sulfonamide high-throughput screening hit is described. A combination of high-throughput chemistry, pharmacophore analysis and in silico PK profiling resulted in the discovery of potent sulfonamide oxytocin receptor antagonists with oral exposure and good selectivity over vasopressin receptors.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	0960-894X 1464-3405
DOI:	10.1016/j.bmcl.2008.11.018