CHEBI:62878 - XAV939

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ChEBI Name XAV939
ChEBI ID CHEBI:62878
Definition A thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
Download Molfile XML SDF
Formula C14H11F3N2OS
Net Charge 0
Average Mass 312.31000
Monoisotopic Mass 312.054
InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
InChIKey KLGQSVMIPOVQAX-UHFFFAOYSA-N
SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F
Roles Classification
Biological Role(s): tankyrase inhibitor
Any compound that inhibits the action of tankyrase.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing XAV939 (CHEBI:62878) has role tankyrase inhibitor (CHEBI:62887)
XAV939 (CHEBI:62878) is a (trifluoromethyl)benzenes (CHEBI:83565)
XAV939 (CHEBI:62878) is a thiopyranopyrimidine (CHEBI:62886)
IUPAC Name
2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
Synonym Source
2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiino[4,3-d]pyrimidin-4-ol IUPAC
Manual Xref Database
LSM-5303 LINCS
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Registry Number Type Source
20421945 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19759537 PubMed citation SUBMITTER
20565110 PubMed citation Europe PMC
21077691 PubMed citation Europe PMC
21706018 PubMed citation Europe PMC
Last Modified
25 February 2016