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CHEBI:62883 - IWR-1-exo

Default Structure
ChEBI IDCHEBI:62883
ChEBI NameIWR-1-exo
Stars
ASCII NameIWR-1-exo
DefinitionA dicarboximide having an exo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. It is a weak axin stabilizer, an analogue of IWR-1-endo.
Last Modified16 September 2011
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC25H19N3O3
Net Charge0
Average Mass409.445
Monoisotopic Mass409.14264
SMILES[H][C@@]12C(=O)N(c3ccc(C(=O)Nc4cccc5cccnc45)cc3)C(=O)[C@]1([H])[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20+,21-
InChIKeyZGSXEXBYLJIOGF-BTYSMDAFSA-N
Roles Classification
Biological Role:
axin stabilizer  Any compound that stabilizes axin proteins.
ChEBI Ontology
Outgoing Relation(s)
IWR-1-exo (CHEBI:62883) has role axin stabilizer (CHEBI:62914)
IWR-1-exo (CHEBI:62883) is a bridged compound (CHEBI:35990)
IWR-1-exo (CHEBI:62883) is a dicarboximide (CHEBI:35356)
IUPAC Name 
4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide
Manual XrefsDatabases
WO2009155001Patent
Registry NumbersSources
Reaxys:19908762Reaxys
Citations