Flumatinib
4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide
Molecular Identity
Flumatinib
4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID: 46848036
Flumatinib is a secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the amino group of 2-methyl-N3-[4-(pyridin-3-yl)pyrimidin-2-yl]pyridine-3,5-diamine. It is an inhibitor of the non-receptor tyrosine kinase Bcr-Abl (IC50 = 1.2 nM) and has been approved in China for the treatment of chronic myeloid leukaemia. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a secondary carboxamide, a member of benzamides, an aminopyridine, an aminopyrimidine, a N-methylpiperazine, a secondary amino compound and a member of (trifluoromethyl)benzenes.
2D Structure
Properties
C29H29F3N8O
Molecular Formula
562.60
Molecular Weight
g/mol
562.2416
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
99.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
841
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Flumatinib895519-90-1flumbatinibHH-GV678HHGV678HH-GV-678HHGV-678R4009Y24AI4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamideDTXSID60237779N-(6-methyl-5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)pyridin-3-yl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide4-(4-Methylpiperazin-1-ylmethyl)-N-(6-methyl-5-(4-pyridin-3-ylpyrimidin-2-ylamino)pyridin-3-yl)-3-trifluoromethylbenzamide4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-(6-METHYL-5-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PYRIDIN-3-YL)-3-TRIFLUOROMETHYL-BENZAMIDE4-((4-methylpiperazin-1-yl)methyl)-N-(6-methyl-5-((4-pyridin-3-ylpyrimidin-2-yl)amino)pyridin-3-yl)-3-(trifluoromethyl)benzamideRefChem:140837
Data from PubChem (NCBI)
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