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CHEBI:71953 - BGT226
| Formula | C28H25F3N6O2.C4H4O4 |
| Net Charge | 0 |
| Average Mass | 650.614 |
| Monoisotopic Mass | 650.21007 |
| SMILES | COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1.O=C(O)/C=C\C(=O)O |
| 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 |
| Roles Classification |
|---|
| Biological Roles: | 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: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| 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 |
|---|