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M  END
> <ID>
CHEBI:91407

> <NAME>
momelotinib

> <DEFINITION>
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.

> <STAR>
3

> <SYNONYM>
N-(cyanomethyl)-4-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide; N-(cyanomethyl)-4-(2-((4-morpholinophenyl)-amino)pyrimidin-4-yl)benzamide; N-(cyanomethyl)-4-(2-((4-(morpholin-4-yl)phenyl)amino)pyrimidin-4-yl)benzamide; N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide; LM-1149; GS-0387; CYT387; CYT-387; CYT-11387; CYT 387; CYT 11387

> <IUPAC_NAME>
N-(cyanomethyl)-4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzamide

> <INN>
momelotinibum; momelotinib; momelotinib; momelotinib

> <BRAND_NAME>
Ojjaara

> <FORMULA>
C23H22N6O2

> <MASS>
414.469

> <MONOISOTOPIC_MASS>
414.18042

> <CHARGE>
0

> <SMILES>
O=C(NCC#N)C1=CC=C(C=C1)C2=CC=NC(NC3=CC=C(C=C3)N4CCOCC4)=N2

> <INCHI>
InChI=1S/C23H22N6O2/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)

> <INCHIKEY>
ZVHNDZWQTBEVRY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1056634-68-4

> <CHEMIDPLUS>
1056634-68-4

> <DRUGBANK_ACCESSION>
DB11763

> <KEGG_DRUG_ACCESSION>
D10315

> <LINCS_ACCESSION>
LSM-1141

> <PDBECHEM_ACCESSION>
C87

> <WIKIPEDIA_ACCESSION>
Momelotinib

> <PUBMED_CENTRAL_CITATION>
PMC10431522

> <PUBMED_CITATION>
19762238; 21079613; 23459451; 25322686; 25511866; 27634203; 27785927; 28622623; 28930494; 28960447; 29024542; 29263442; 29275119; 29283448; 29311136; 29515114; 30087028; 30105668; 31450973; 31560729; 32394008; 34704880; 34768286; 35045875; 35255234; 35345816; 35413417; 35603634; 35869266; 36349465; 36599841; 36709073; 36861402; 37021939; 37039727; 37042865; 37517413; 37901848; 37908862; 37989928; 38164985; 38201581; 38311180; 38406514; 38501751

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