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CHEBI:71954 - BKM120

ChEBI IDCHEBI:71954
ChEBI NameBKM120
Stars
DefinitionAn aminopyridine that is 4-(trifluoromethyl)pyridin-2-amine substituted at position 5 by a 2,6-di(morpholin-4-yl)pyrimidin-4-y group. A selective PI3K inhibitor with anti-tumour properties.
Last Modified15 July 2016
SubmitterBijay
DownloadsMolfile
FormulaC18H21F3N6O2
Net Charge0
Average Mass410.400
Monoisotopic Mass410.16781
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
InChIKeyCWHUFRVAEUJCEF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor  An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
BKM120 (CHEBI:71954) has role antineoplastic agent (CHEBI:35610)
BKM120 (CHEBI:71954) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
BKM120 (CHEBI:71954) is a aminopyridine (CHEBI:38207)
BKM120 (CHEBI:71954) is a aminopyrimidine (CHEBI:38338)
BKM120 (CHEBI:71954) is a morpholines (CHEBI:38785)
BKM120 (CHEBI:71954) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
Synonyms  Source
NVP-BKM120SUBMITTER
BKM 120ChemIDplus
Manual XrefsDatabases
WO2012044727Patent
WO2007084786Patent
WO2012109423Patent
LSM-1148LINCS
Registry NumbersSources
Reaxys:12938097Reaxys
CAS:1202777-78-3ChemIDplus
Citations