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668981-02-0

668981-02-0 Structure

668981-02-0 Structure
IdentificationBack Directory
[Name]

CP-863187
[CAS]

668981-02-0
[Synonyms]

CP-863187
CP-281384
CP 281384,CP281384
CP-863187 >=98% (HPLC)
1,2,4-Triazolo[4,3-a]pyridine, 6-[4-(2,5-difluorophenyl)-5-oxazolyl]-3-(1-methylethyl)-
[Molecular Formula]

C18H14F2N4O
[MDL Number]

MFCD30480740
[MOL File]

668981-02-0.mol
[Molecular Weight]

340.33
Chemical PropertiesBack Directory
[density ]

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

room temp
[solubility ]

DMSO: 10mg/mL, clear
[form ]

powder
[pka]

2.42±0.50(Predicted)
[color ]

white to beige
[InChI]

1S/C18H14F2N4O/c1-10(2)18-23-22-15-6-3-11(8-24(15)18)17-16(21-9-25-17)13-7-12(19)4-5-14(13)20/h3-10H,1-2H3
[InChIKey]

UACOXBQBNWQWOK-UHFFFAOYSA-N
[SMILES]

FC1=C(C2=C(OC=N2)C(C=C3)=CN4C3=NN=C4C(C)C)C=C(F)C=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

p38α inhibitor 7 (compound 1) is an effective p38α inhibitor with oral efficacy and generally favorable pharmacokinetic properties[1].
[Biological Activity]

CP-863187 is a potent p38α (p38α) inhibitor (IC50 = 5.8 nM) with 44-fold selectivity over p38β (p38β) and no inhibitory potency against p38γ (p38γ) and p38δ (p38δ) isoforms. CP-863187 effectively inhibits LPS-stimulated cellular TNF-α production in vitro (IC50 = 259 and 25 nMusing human whole blood and isolated mononuclear cellsrespectively) and in rats in vivo (ED50 = 0.3 mg/kg p.o.) with good pharmacokinetic profile and oral availability (F = 87%/dog40%/monkey30%/r at with 5 mg/kg oral dosage; F = 66%/r at with 50 mg/kg oral dosage).
[IC 50]

p38α
[References]

[1] Amit S. Kalgutkar, et al. Preclinical Pharmacokinetics and Metabolism of 6-(4-(2,5- Difluorophenyl)oxazol-5-yl)-3-isopropyl-[1,2,4]-triazolo[4,3-a] pyridine, a Novel and Selective p38a Inhibitor: Identification of an Active Metabolite in Preclinical Species and Human Liver Microsomes. Biopharm. Drug Dispos. 27: 371–386 (2006).
668981-02-0 suppliers list
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