Ralimetinib

Description: Ralimetinib / LY2228820 is a potent and selective, ATP-competitive inhibitor of p38 MAPK α/β, with IC50s of 5.3 and 3.2 nM, respectively.

• Catalog: OFC862505008
• CAS: 862505-00-8
• Category: Fluorinated APIs
• Synonyms: LY2228820
• Purity: >98%

• IUPAC Name: 5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
• InChI: InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)
• InChI Key: XPPBBJCBDOEXDN-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C(C)(C)C)C4=CC=C(C=C4)F)N=C1N

• Molecular Formula: C24H29FN6
• Molecular Weight: 420.53
• Appearance: White to off-white solid powder

• XLogP3-AA: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 420.24377311 g/mol
• Monoisotopic Mass: 420.24377311 g/mol
• Topological Polar Surface Area: 85.4Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 608