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CHEBI:233997 - VAS2870

ChEBI IDCHEBI:233997
ChEBI NameVAS2870
Stars
DefinitionA member of the class of triazolopyrimidines that is 3H-[1,2,3]triazolo[4,5-d]pyrimidine substituted by benzyl and (1,3-benzoxazol-2-yl)sulfanediyl groups at positions 3 and 7, respectively. It is a pan-NADPH oxidase inhibitor.
Last Modified24 April 2025
SubmitterFlyBase
DownloadsMolfile
FormulaC18H12N6OS
Net Charge0
Average Mass360.402
Monoisotopic Mass360.07933
SMILESc1ccc(Cn2nnc3c(Sc4nc5ccccc5o4)ncnc32)cc1
InChIInChI=1S/C18H12N6OS/c1-2-6-12(7-3-1)10-24-16-15(22-23-24)17(20-11-19-16)26-18-21-13-8-4-5-9-14(13)25-18/h1-9,11H,10H2
InChIKeyHZSOKHVVANONPV-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor  An EC 1.6.3.* (oxidoreductase acting on NADH or NADPH with oxygen as acceptor) inhibitor that interferes with the action of NAD(P)H oxidase (H2O2-forming), EC 1.6.3.1.
Applications:
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
VAS2870 (CHEBI:233997) has role EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor (CHEBI:50423)
VAS2870 (CHEBI:233997) has role neuroprotective agent (CHEBI:63726)
VAS2870 (CHEBI:233997) has role platelet aggregation inhibitor (CHEBI:50427)
VAS2870 (CHEBI:233997) is a 1,3-benzoxazoles (CHEBI:51548)
VAS2870 (CHEBI:233997) is a aryl sulfide (CHEBI:35683)
VAS2870 (CHEBI:233997) is a benzenes (CHEBI:22712)
VAS2870 (CHEBI:233997) is a triazolopyrimidines (CHEBI:48435)
IUPAC Name 
7-(1,3-benzoxazol-2-ylsulfanyl)-3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Synonyms  Source
VAS-2870ChEBI
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1,3-benzoxazoleIUPAC
PubChem 1,3-benzoxazol-2-yl 3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl sulfideSUBMITTER
VAS 2870ChEBI
7-[(1,3-benzoxazol-2-yl)sulfanyl]-3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidineIUPAC
3-benzyl-7-(2-benzoxazolyl)thio-1,2,3-triazolo[4,5-d]pyrimidineChEBI
Registry NumbersSources
CAS:722456-31-7SUBMITTER
Citations