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SB-681323

CAS No.:
444606-18-2
Catalog Number:
AG00DJYZ
Molecular Formula:
C23H19F3N4O3
Molecular Weight:
456.4172
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$404
- +
5mg
99%
1 week
United States
$821
- +
10mg
99%
1 week
United States
$1307
- +
20mg
99%
1 week
United States
$2279
- +
Product Description
Catalog Number:
AG00DJYZ
Chemical Name:
SB-681323
CAS Number:
444606-18-2
Molecular Formula:
C23H19F3N4O3
Molecular Weight:
456.4172
MDL Number:
MFCD16659063
IUPAC Name:
8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
InChI:
InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)
InChI Key:
ORVNHOYNEHYKJG-UHFFFAOYSA-N
SMILES:
OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO
UNII:
Q3238VQW0N
Properties
Complexity:
702  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.141g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
456.425g/mol
Monoisotopic Mass:
456.141g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Design and synthesis of inhaled p38 inhibitors for the treatment of chronic obstructive pulmonary disease. Journal of medicinal chemistry 20111124
A randomized, placebo-controlled study of the effects of the p38 MAPK inhibitor SB-681323 on blood biomarkers of inflammation in COPD patients. Journal of clinical pharmacology 20100101
p38 pathway kinases as anti-inflammatory drug targets. Journal of dental research 20070901
Inhibition of p38 MAP kinase- and RICK/NF-kappaB-signaling suppresses inflammatory bowel disease. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 20041001
Properties