MOMELOTINIB
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide
Molecular Identity
MOMELOTINIB
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide
PubChem CID: 25062766
Momelotinib is a benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis. It has a role as an antineoplastic agent, an apoptosis inducer, an anti-anaemic agent and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a nitrile, a member of benzamides, an aminopyrimidine, a member of morpholines, a secondary amino compound and a tertiary amino compound.
2D Structure
Properties
C23H22N6O2
Molecular Formula
414.50
Molecular Weight
g/mol
414.1804
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
103
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
615
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
MOMELOTINIB1056634-68-4Cyt387Cyt-387N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamideN-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamideCYT-11387momelotinibumGS-03876O01GMS00PCYT-0387N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamideN-(cyanomethyl)-4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzamideCHEBI:91407DTXSID801026049
Data from PubChem (NCBI)
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