ChemicalBook--->CAS DataBase List--->668990-94-1

668990-94-1

668990-94-1 Structure

668990-94-1 Structure
IdentificationBack Directory
[Name]

CP-944629
[CAS]

668990-94-1
[Synonyms]

CP-944629
CP-944629 >=98% (HPLC)
1,2,4-Triazolo[4,3-a]pyridine, 3-(1,1-dimethylethyl)-6-[4-(2,4,5-trifluorophenyl)-5-oxazolyl]-
[Molecular Formula]

C19H15F3N4O
[MOL File]

668990-94-1.mol
[Molecular Weight]

372.34
Chemical PropertiesBack Directory
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

room temp
[solubility ]

DMSO: 10mg/mL, clear
[form ]

powder
[pka]

2.70±0.50(Predicted)
[color ]

white to beige
[InChI]

1S/C19H15F3N4O/c1-19(2,3)18-25-24-15-5-4-10(8-26(15)18)17-16(23-9-27-17)11-6-13(21)14(22)7-12(11)20/h4-9H,1-3H3
[InChIKey]

VNZJNPIWZYMGAO-UHFFFAOYSA-N
[SMILES]

CC(C)(C)C1=NN=C2C=CC(C3=C(C4=C(F)C=C(F)C(F)=C4)N=CO3)=CN21
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Biochem/physiol Actions]

CP-9446219 is a potent p38alpha (p38α) inhibitor (IC50 = 1.8 nM) with no inhibitory potency against a panel of 26 other knases (IC50 >10 μM), including p38gamma (p38γ) and p38delta (p38δ), MKK1, MAPK2/ERK2, JNK, MAPKAP-K1a, and MAPKAP-K2. CP-944629 effectively inhibits LPS-stimulated cellular TNF-α production in vitro (IC50 = 63 and 8.3 nM, using human whole blood and isolated mononuclear cells, respectively) and in rats in vivo (ED50 = 0.1 mg/kg p.o.) with good pharmacokinetic profile and oral availability (F = 66%/monkey, 54%/rat).
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