Pimasertib
N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
Molecular Identity
Pimasertib
N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
PubChem CID: 44187362
Pimasertib is a secondary carboxamide resulting from the formal condensation of the carboxy group of 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylic acid with the amino group of (2S)-3-aminopropane-1,2-diol. It is a potent inhibitor of the mitogen-activated protein kinases MEK1 and MEK2 with potential antineoplastic activity. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor. It is a secondary carboxamide, a primary alcohol, a diol, a pyridinecarboxamide, a secondary alcohol, an aminopyridine, a difluorobenzene and a substituted aniline.
2D Structure
Properties
C15H15FIN3O3
Molecular Formula
431.20
Molecular Weight
g/mol
431.0142
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
94.5
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
391
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NCC(CO)OIsomeric SMILES
SMILES: C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NC[C@@H](CO)OSynonyms(20)
Pimasertib1236699-92-5AS-703026AS7030266ON9RK82ALEMD 1036239MSC-1936369N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamideMSC1936369AMSC-1936369AEMD-10362394-Pyridinecarboxamide, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide4-Pyridinecarboxamide, N-((2S)-2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)-N-((2S)-2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)pyridine-4-carboxamide
Data from PubChem (NCBI)
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