CHEBI:63053 - purmorphamine

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ChEBI Name purmorphamine
ChEBI ID CHEBI:63053
Definition A member of the class of purines that is purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C31H32N6O2
Net Charge 0
Average Mass 520.626
Monoisotopic Mass 520.259
InChI InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)
InChIKey FYBHCRQFSFYWPY-UHFFFAOYSA-N
SMILES N1=CN(C=2N=C(N=C(C12)NC=3C=CC(=CC3)N4CCOCC4)OC=5C=6C=CC=CC6C=CC5)C7CCCCC7
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): SMO receptor agonist
An agonist that enhances the action of smoothened (SMO) receptor.
osteogenesis regulator
Any compound that induces or regulates osteogenesis.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing purmorphamine (CHEBI:63053) has parent hydride 9H-purine (CHEBI:35589)
purmorphamine (CHEBI:63053) has role osteogenesis regulator (CHEBI:63054)
purmorphamine (CHEBI:63053) has role SMO receptor agonist (CHEBI:131809)
purmorphamine (CHEBI:63053) is a aromatic ether (CHEBI:35618)
purmorphamine (CHEBI:63053) is a morpholines (CHEBI:38785)
purmorphamine (CHEBI:63053) is a purines (CHEBI:26401)
purmorphamine (CHEBI:63053) is a secondary amino compound (CHEBI:50995)
IUPAC Name
9-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9H-purin-6-amine
Manual Xrefs Databases
LSM-3649 LINCS
Purmorphamine Wikipedia
US2004157864 Patent
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Registry Numbers Types Sources
10500685 Reaxys Registry Number Reaxys
483367-10-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12465946 PubMed citation Europe PMC
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Last Modified
21 April 2016