Ketcher 01061609462D 1   1.00000     0.00000     0

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 27 28  1  0     0  0
M  END
> <ID>
CHEBI:90685

> <NAME>
pamapimod

> <DEFINITION>
A member of the class of pyridopyrimidines that is 8-methylpyrido[2,3-d]pyrimidin-7(8H)-one carrying additional (1,5-dihydroxypentan-3-yl)amino and 2,4-difluorophenoxy substituents at positions 2 and 6 respectively. It is a potent inhibitor of MAPK and is used for treatment of rheumatoid arthritis.

> <STAR>
3

> <SYNONYM>
Ro 4402257; R1503

> <IUPAC_NAME>
6-(2,4-difluorophenoxy)-2-[(1,5-dihydroxypentan-3-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one

> <INN>
pamapimod

> <FORMULA>
C19H20F2N4O4

> <MASS>
406.384

> <MONOISOTOPIC_MASS>
406.14526

> <CHARGE>
0

> <SMILES>
C1=C(F)C=CC(=C1F)OC2=CC3=CN=C(N=C3N(C)C2=O)NC(CCO)CCO

> <INCHI>
InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)

> <INCHIKEY>
JYYLVUFNAHSSFE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
449811-01-2

> <REAXYS_REGISTRY_NUMBER>
18704012

> <CHEMIDPLUS>
449811-01-2

> <KEGG_DRUG_ACCESSION>
D08963

> <PDBECHEM_ACCESSION>
FLW

> <PUBMED_CITATION>
18776065; 19180516; 19357113; 20100913; 20666701; 21375264; 21612741; 26279429

$$$$