EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63053 - purmorphamine

ChEBI IDCHEBI:63053
ChEBI Namepurmorphamine
Stars
DefinitionA 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.
Last Modified21 April 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC31H32N6O2
Net Charge0
Average Mass520.637
Monoisotopic Mass520.25867
SMILESc1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1
InChIInChI=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)
InChIKeyFYBHCRQFSFYWPY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
osteogenesis regulator  Any compound that induces or regulates osteogenesis.
SMO receptor agonist  An agonist that enhances the action of smoothened (SMO) receptor.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
US2004157864Patent
LSM-3649LINCS
PurmorphamineWikipedia
Registry NumbersSources
Reaxys:10500685Reaxys
CAS:483367-10-8ChemIDplus
Citations