1096708-71-2
2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
Molecular Identity
1096708-71-2
2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID: 25161177
TAK-580 is a 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults. It has a role as an antineoplastic agent, an apoptosis inducer and a B-Raf inhibitor. It is a secondary carboxamide, an organofluorine compound, an aminopyrimidine, a chloropyridine, a pyrimidinecarboxamide and a 1,3-thiazolecarboxamide.
2D Structure
Properties
C17H12Cl2F3N7O2S
Molecular Formula
506.30
Molecular Weight
g/mol
505.0102
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
164
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
695
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1096708-71-2TovorafenibTak-580BIIB-024BIIB024MLN-2480DAY101(r)-2-(1-(6-amino-5-chloropyrimidine-4-carboxamido)ethyl)-n-(5-chloro-4-(trifluoromethyl)pyridin-2-yl)thiazole-5-carboxamideOJEMDABIIB 024DAY-101Tak 580AMG 2112819TAK580ZN90E4027M
Data from PubChem (NCBI)
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