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SCIO 469 hydrochloride , MAP kinase p38 alpha inhibitor, CAS No.309913-83-5, MAP kinase p38 alpha inhibitor
a selective, ATP-competitive p38 inhibitor
Basic Description Synonyms Talmapimod|SCIO-469|309913-83-5|SCIO 469|Scios 469|B1E00KQ6NT|CHEMBL514201|CHEBI:90683|309913-83-5 (free base)|2-(6-chloro-5-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazine-1-carbonyl)-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide|2-[6-chloro-5-[ Specifications & Purity Moligand™ Storage Temp Store at 2-8°C,Desiccated Shipped In Wet ice Grade Moligand™ Action Type INHIBITOR Mechanism of action MAP kinase p38 alpha inhibitor Product Description SCIO 469 hydrochloride has shown to be a selective, ATP-competitive p38 inhibitor. Studies suggest that this compound has a 10-fold selectivity for p38α over p38β and 2000-fold selectivity for p38α over 20 other kinases.
Names and Identifiers 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 Canonical SMILES CC1CN(C(CN1C(=O)C2=C(C=C3C(=C2)C(=CN3C)C(=O)C(=O)N(C)C)Cl)C)CC4=CC=C(C=C4)F 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 PubChem CID 9871074 Molecular Weight 549.46
Chemical and Physical Properties Solubility Soluble in water (10 mM), and DMSO (100 mM). Specific Rotation[α] α20/D +22.9°, c = 1.04 in methanol Boil Point(°C) 677.3° C at 760 mmHg (Predicted)
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