Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 16, Issue 6, Pages 3059-3066Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2007.12.033
Keywords
enaminones; triphosgene; pyrazol; 1,3-oxazine-2-ones; SAR; PASS; PharmaExpert; COX
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Cyclisation of pyrazolo-beta-enaminones 3 readily obtained from 4-aceto acetyl pyrazol 2 with triphosgene led to the formation of N-substituted pyrazolo-1,3-oxazin-2-ones 4 in good yields. Estimation of pharmacotherapeutic potential, possible molecule mechanisms of action, toxic/side effects and interaction with drug-metabolizing enzymes were made for synthesised compounds on the basis of prediction of activity spectra for substances (PASS) prediction results and their analysis by PharmaExpert software. COX inhibition predicted by PASS was confirmed by experimental evaluation. (C) 2008 Elsevier Ltd. All rights reserved.
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