CHEBI:71954 - BKM120

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ChEBI Name BKM120
ChEBI ID CHEBI:71954
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
Download Molfile XML SDF
Formula C18H21F3N6O2
Net Charge 0
Average Mass 410.39350
Monoisotopic Mass 410.168
InChI InChI=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)
InChIKey CWHUFRVAEUJCEF-UHFFFAOYSA-N
SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
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): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
BKM 120 ChemIDplus
NVP-BKM120 SUBMITTER
Manual Xrefs Databases
LSM-1148 LINCS
WO2007084786 Patent
WO2012044727 Patent
WO2012109423 Patent
View more database links
Registry Numbers Types Sources
1202777-78-3 CAS Registry Number ChemIDplus
12938097 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
15 July 2016
Submitter Remark
2013-01-29 10:14:52.0 Bijay http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16654980