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relacatib , CAS No.362505-84-8, Inhibitor of cathepsin K
Basic Description Synonyms BDBM19778 | BL51M8CB8R | GSK-462795 | Benzofuran-2-carboxylic acid {(S)-3-methyl-1-[(4S,7R)-7-methyl-3-oxo-1-(pyridine-2-sulfonyl)-azepan-4-ylcarbamoyl]-butyl}-amide | Relacatib [USAN:INN] | N-(1-Hydroxy-4-methyl-1-{[7-methyl-3-oxo-1-(pyridine-2-sulfonyl) Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of cathepsin K
Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide INCHI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1 InChi Key BWYBBMQLUKXECQ-GIVPXCGWSA-N Canonical SMILES CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC(C)C)NC(=O)C3=CC4=CC=CC=C4O3 Isomeric SMILES C[C@@H]1CC[C@@H](C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)[C@H](CC(C)C)NC(=O)C3=CC4=CC=CC=C4O3 Alternate CAS 362505-84-8 PubChem CID 6918602 MeSH Entry Terms N-((1S)-3-methyl-1-((((4S,7R)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)hexahydro-1H-azepin-4-yl)amino)carbonyl)-butyl)-1-benzofuran-2-carboxamide;relacatib;SB 462795;SB-462795;SB462795
References 1. Gauthier JY, Chauret N, Cromlish W, Desmarais S, Duong le T, Falgueyret JP, Kimmel DB, Lamontagne S, Léger S, LeRiche T et al. . (2008) The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.. Bioorg Med Chem Lett, 18 (3): (923-8). [PMID:18226527 ] [10.1021/op500134e ]
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