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CHEBI:132811 - NAV2729

ChEBI IDCHEBI:132811
ChEBI NameNAV2729
Stars
DefinitionA pyrazolopyrimidine that is 4H-pyrazolo[1,5-a]pyrimidin-7-one which is substituted at positions 2, 3, and 5 by benzyl, p-chlorophenyl, and p-nitrophenyl groups, respectively. It is an inhibitor of ADP-ribosylation factor 6 (ARF6), a member of the ADP ribosylation factor family of GTP-binding proteins.
Last Modified10 August 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC25H17ClN4O3
Net Charge0
Average Mass456.889
Monoisotopic Mass456.09892
SMILESO=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn12
InChIInChI=1S/C25H17ClN4O3/c26-19-10-6-18(7-11-19)24-22(14-16-4-2-1-3-5-16)28-29-23(31)15-21(27-25(24)29)17-8-12-20(13-9-17)30(32)33/h1-13,15,27H,14H2
InChIKeyGUUWHOSUKOCRHG-UHFFFAOYSA-N
Roles Classification
Biological Role:
inhibitor  A substance that diminishes the rate of a chemical reaction.
ChEBI Ontology
Outgoing Relation(s)
NAV2729 (CHEBI:132811) has role inhibitor (CHEBI:35222)
NAV2729 (CHEBI:132811) is a C-nitro compound (CHEBI:35716)
NAV2729 (CHEBI:132811) is a monochlorobenzenes (CHEBI:83403)
NAV2729 (CHEBI:132811) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name 
2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Synonyms  Source
2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)-4H-pyrazolo[1,5-a]pyrimidin-7-oneChEBI
NAV-2729ChEBI
Manual XrefsDatabases
WO2015183989Patent
Registry NumbersSources
Reaxys:24485055Reaxys
Citations