6-(2,4-Difluorophenoxy)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one - CAS 449811-12-5

Catalog:	BB067787
Product Name:	6-(2,4-Difluorophenoxy)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
CAS:	449811-12-5
Synonyms:	6-(2,4-difluorophenoxy)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one; 6-(2,4-difluorophenoxy)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one; 6-(2,4-difluorophenoxy)-8-methyl-2-(methylthio)-pyrido[2,3-d]pyrimidin-7(8h)-one

Technical Data

IUPAC Name:	6-(2,4-difluorophenoxy)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
Description:	6-(2,4-Difluorophenoxy)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one is an intermediate in the synthesis of Pamapimod (P167500), a selective inhibitor of the α-isoform of p38 MAP kinase.
Molecular Weight:	335.33
Molecular Formula:	C15H11F2N3O2S
Canonical SMILES:	CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)SC
InChI:	InChI=1S/C15H11F2N3O2S/c1-20-13-8(7-18-15(19-13)23-2)5-12(14(20)21)22-11-4-3-9(16)6-10(11)17/h3-7H,1-2H3
InChI Key:	ZPIBOTZZXBWGAQ-UHFFFAOYSA-N
Melting Point:	175-177°C
Solubility:	Chloroform, DMSO
Appearance:	Light Brown Solid
Storage:	-20°C Freezer
References:	Goldstein, D. M., et al. J. Med. Chem., 54, 2255 (2011).

Complexity:	493
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	335.0540041
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	335.0540041
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9