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CHEBI:90685 - pamapimod

ChEBI IDCHEBI:90685
ChEBI Namepamapimod
Stars
DefinitionA 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.
Last Modified6 January 2016
Submittermziehm
DownloadsMolfile
FormulaC19H20F2N4O4
Net Charge0
Average Mass406.389
Monoisotopic Mass406.14526
SMILESCn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21
InChIInChI=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)
InChIKeyJYYLVUFNAHSSFE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
Application:
antirheumatic drug  A drug used to treat rheumatoid arthritis.
ChEBI Ontology
Outgoing Relation(s)
pamapimod (CHEBI:90685) has role antirheumatic drug (CHEBI:35842)
pamapimod (CHEBI:90685) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
pamapimod (CHEBI:90685) is a aromatic amine (CHEBI:33860)
pamapimod (CHEBI:90685) is a aromatic ether (CHEBI:35618)
pamapimod (CHEBI:90685) is a difluorobenzene (CHEBI:38582)
pamapimod (CHEBI:90685) is a diol (CHEBI:23824)
pamapimod (CHEBI:90685) is a primary alcohol (CHEBI:15734)
pamapimod (CHEBI:90685) is a pyridopyrimidine (CHEBI:38932)
pamapimod (CHEBI:90685) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
6-(2,4-difluorophenoxy)-2-[(1,5-dihydroxypentan-3-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
INN  Source
pamapimodKEGG DRUG
Synonyms  Source
R1503ChemIDplus
Ro 4402257ChemIDplus
Manual XrefsDatabases
D08963KEGG DRUG
FLWPDBeChem
Registry NumbersSources
Reaxys:18704012Reaxys
CAS:449811-01-2ChemIDplus
CAS:449811-01-2KEGG DRUG
Citations