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Pamapimod (R-1503) 50mg

CAT: 0628-A13551-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A13551-50Size:50 mg
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CAS Number
449811-01-2

Chemical Information

Pamapimod

Pamapimod is 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. It has a role as an antirheumatic drug and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a primary alcohol, a diol, an aromatic amine, an aromatic ether, a difluorobenzene, a pyridopyrimidine and a secondary amino compound.

CAS Number449811-01-2
PubChem CID16220188
IUPAC Name6-(2,4-difluorophenoxy)-2-(1,5-dihydroxypentan-3-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC19H20F2N4O4
Molecular Weight406.4
XLogP2.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity591
SMILES
CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)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
Chemical Structure
2D Structure
2D structure of Pamapimod
CAS: 449811-01-2
CID: 16220188
Formula: C19H20F2N4O4
MW: 406.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass406.14526146
Monoisotopic Mass406.14526146
Topological Polar Surface Area108 Ų
Heavy Atom Count29
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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