Momelotinib dihydrochlorideProduct ingredient for Momelotinib
- Name
- Momelotinib dihydrochloride
- Drug Entry
- Momelotinib
Momelotinib is a Janus Kinase 1 (JAK1) and 2 (JAK2) inhibitor. It is a competitive inhibitor of JAK ATP binding.4 First approved by the FDA on September 15, 2023,7 momelotinib is used to treat myelofibrosis.6 Myelofibrosis (MF) is a group of myeloproliferative neoplasms characterized by abnormal proliferative hematopoietic stem cells, leading to the release of cytokines and growth factors. MF includes primary MF (PMF), post-polycythemia vera (PV) MF, and post-essential thrombocythemia (ET) MF. Clinical manifestations of MF include anemia and thrombocytosis. Momelotinib works to block the JAK-signal transducer and activator of transcription (STAT) signalling pathway, which is aberrant in MF.3,4,5
- Accession Number
- DBSALT003445
- Structure
Structure for Momelotinib dihydrochloride (DBSALT003445)
- Synonyms
- BENZAMIDE, N-(CYANOMETHYL)-4-(2-((4-(4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)-, DIHYDROCHLORIDE / BENZAMIDE, N-(CYANOMETHYL)-4-(2-((4-(4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)-, HYDROCHLORIDE (1:2) / CYT-387 DIHYDROCHLORIDE / CYT387 DIHYDROCHLORIDE / N-(Cyanomethyl)-4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4- yl)benzamide dihydrochloride monohydrate
- UNII
- RBH995N496
- CAS Number
- 1380317-28-1
- Weight
- Average: 487.39
Monoisotopic: 486.1337794 - Chemical Formula
- C23H24Cl2N6O2
- InChI Key
- IPNATXQRPWRHKD-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H22N6O2.2ClH/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29;;/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28);2*1H
- IUPAC Name
- N-(cyanomethyl)-4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzamide dihydrochloride
- SMILES
- Cl.Cl.O=C(NCC#N)C1=CC=C(C=C1)C1=NC(NC2=CC=C(C=C2)N2CCOCC2)=NC=C1
- External Links
- ChemSpider
- 28651524
- ChEMBL
- CHEMBL2219411
- Wikipedia
- Momelotinib
- Predicted Properties
Property Value Source logP 2.7 Chemaxon pKa (Strongest Acidic) 14.02 Chemaxon pKa (Strongest Basic) 2.62 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 103.17 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 118.46 m3·mol-1 Chemaxon Polarizability 44.2 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon