For research use only. Not for therapeutic Use.
PH-797804（Cat No.:I004194）is a potent and selective inhibitor of p38α MAP kinase, with an IC50 of 26 nM. It has been shown to reduce inflammation in several disease models, such as arthritis, COPD, and osteoporosis. PH-797804 is a pyridinyl imidazole compound that binds specifically to the ATP-binding site of p38α and blocks its activation. It has also been found to inhibit the production of TNFα and IL-1β in LPS-stimulated human peripheral blood mononuclear cells (PBMCs), suggesting its potential use in the treatment of inflammatory diseases.
| Catalog Number | I004194 |
| CAS Number | 586379-66-0 |
| Synonyms | 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide |
| Molecular Formula | C₂₂H₁₉BrF₂N₂O₃ |
| Purity | ≥95% |
| Target | p38 MAPK; Autophagy |
| Solubility | 10 mM in DMSO |
| Storage | 20-25°C |
| IUPAC Name | 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide |
| InChI | InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28) |
| InChIKey | KCAJXIDMCNPGHZ-UHFFFAOYSA-N |
| SMILES | CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C |
| Reference | </br>1:Efficacy and safety of the oral p38 inhibitor PH-797804 in chronic obstructive pulmonary disease: a randomised clinical trial. MacNee W, Allan RJ, Jones I, De Salvo MC, Tan LF.Thorax. 2013 Aug;68(8):738-45. doi: 10.1136/thoraxjnl-2012-202744. Epub 2013 Mar 28. PMID: 23539534 </br>2:Discovery and characterization of atropisomer PH-797804, a p38 MAP kinase inhibitor, as a clinical drug candidate. Xing L, Devadas B, Devraj RV, Selness SR, Shieh H, Walker JK, Mao M, Messing D, Samas B, Yang JZ, Anderson GD, Webb EG, Monahan JB.ChemMedChem. 2012 Feb 6;7(2):273-80. doi: 10.1002/cmdc.201100439. Epub 2011 Dec 15. PMID: 22174080 </br>3:Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase. Selness SR, Devraj RV, Devadas B, Walker JK, Boehm TL, Durley RC, Shieh H, Xing L, Rucker PV, Jerome KD, Benson AG, Marrufo LD, Madsen HM, Hitchcock J, Owen TJ, Christie L, Promo MA, Hickory BS, Alvira E, Naing W, Blevis-Bal R, Messing D, Yang J, Mao MK, Yalamanchili G, Vonder Embse R, Hirsch J, Saabye M, Bonar S, Webb E, Anderson G, Monahan JB.Bioorg Med Chem Lett. 2011 Jul 1;21(13):4066-71. doi: 10.1016/j.bmcl.2011.04.121. Epub 2011 May 11. PMID: 21641211 </br>4:Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Xing L, Shieh HS, Selness SR, Devraj RV, Walker JK, Devadas B, Hope HR, Compton RP, Schindler JF, Hirsch JL, Benson AG, Kurumbail RG, Stegeman RA, Williams JM, Broadus RM, Walden Z, Monahan JB.Biochemistry. 2009 Jul 14;48(27):6402-11. doi: 10.1021/bi900655f. PMID: 19496616 |
