CHEBI:71953 - BGT226

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ChEBI Name BGT226
ChEBI ID CHEBI:71953
Definition The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
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Formula C32H29F3N6O6
Net Charge 0
Average Mass 650.60450
Monoisotopic Mass 650.21007
InChI InChI=1S/C28H25F3N6O2.C4H4O4/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36;5-3(6)1-2-4(7)8/h3-8,13-16,32H,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey YUXMAKUNSXIEKN-BTJKTKAUSA-N
SMILES OC(=O)\C=C/C(O)=O.COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Roles Classification
Biological Role(s): mTOR inhibitor
A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer.
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 BGT226 (CHEBI:71953) has part BGT226(1+) (CHEBI:71966)
BGT226 (CHEBI:71953) has role antineoplastic agent (CHEBI:35610)
BGT226 (CHEBI:71953) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
BGT226 (CHEBI:71953) has role mTOR inhibitor (CHEBI:68481)
BGT226 (CHEBI:71953) is a maleate salt (CHEBI:50221)
IUPAC Name
8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one (2Z)-but-2-enedioate
Synonyms Sources
4-{4-[8-(6-methoxypyridin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl}piperazin-1-ium (2Z)-3-carboxyacrylate IUPAC
BGT226 maleate salt ChEBI
NVP-BGT226 ChEBI
Citations Waiting for Citations Types Sources
21362200 PubMed citation Europe PMC
21959532 PubMed citation Europe PMC
21976531 PubMed citation Europe PMC
22170433 PubMed citation Europe PMC
22357447 PubMed citation Europe PMC
22452803 PubMed citation Europe PMC
23300274 PubMed citation Europe PMC
Last Modified
30 January 2013