Momelotinib dihydrochloride monohydrateProduct ingredient for Momelotinib

Show full entry for Momelotinib
Name
Momelotinib dihydrochloride monohydrate
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

See full entry for Momelotinib
Accession Number
DBSALT003485
Structure
Similar Structures
Synonyms
BENZAMIDE, N-(CYANOMETHYL)-4-(2-((4-(4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)-, HYDROCHLORIDE, HYDRATE (1:2:1) / CYT-11387 DIHYDROCHLORIDE MONOHYDRATE / CYT-387 DIHYDROCHLORIDE MONOHYDRATE / MOMELOTINIB HYDROCHLORIDE HYDRATE
UNII
LDX8893L5D
CAS Number
1841094-17-4
Weight
Average: 505.4
Monoisotopic: 504.1443441
Chemical Formula
C23H26Cl2N6O3
InChI Key
RQKCPSIFARJBOR-UHFFFAOYSA-N
InChI
InChI=1S/C23H22N6O2.2ClH.H2O/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;1H2
IUPAC Name
N-(cyanomethyl)-4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzamide hydrate dihydrochloride
SMILES
O.Cl.Cl.O=C(NCC#N)C1=CC=C(C=C1)C1=NC(NC2=CC=C(C=C2)N2CCOCC2)=NC=C1
Wikipedia
Momelotinib
Predicted Properties
PropertyValueSource
logP2.7Chemaxon
pKa (Strongest Acidic)14.02Chemaxon
pKa (Strongest Basic)2.62Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area103.17 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity118.46 m3·mol-1Chemaxon
Polarizability44.2 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon