Talmapimod

Description: Talmapimod / SD-282 is an orally active, selective, and ATP-competitive p38α inhibitor with an IC50 of 9 nM. Talmapimod shows about 10-fold selectivity over p38β, and at least 2000-fold selectivity over a panel of 20 other kinases, including other MAPKs.

• Catalog: OFC309913835
• CAS: 309913-83-5
• Category: Fluorinated APIs
• Synonyms: SD-282
• Purity: >98%

• IUPAC Name: 2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
• InChI: InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1
• InChI Key: ZMELOYOKMZBMRB-DLBZAZTESA-N
• Isomeric SMILES: C[C@@H]1CN([C@H](CN1C(=O)C2=C(C=C3C(=C2)C(=CN3C)C(=O)C(=O)N(C)C)Cl)C)CC4=CC=C(C=C4)F

• Molecular Formula: C27H30ClFN4O3
• Molecular Weight: 513.0
• Appearance: White to off-white solid powder

• XLogP3-AA: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 512.1990467 g/mol
• Monoisotopic Mass: 512.1990467 g/mol
• Topological Polar Surface Area: 65.9Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 836