N-(5-Chloropyridin-2-yl)-N'-[(1S,2S,4R)-4-[(dimethylamino)carbonyl]-2-[[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]ethanediamide

• CAT Number: R031552
• CAS Number: 1255529-28-2
• Molecular Formula: C24H30ClN7O4S
• Molecular Weight: 548.059
• Purity: ≥95%
• Synonyms: Edoxaban Impurity H; 2,4-diepi-Edoxaban; (2S,4R)-Edoxaban
• Storage: Store at -20C
• IUPAC Name: N/'-(5-chloropyridin-2-yl)-N-[(1S,2S,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
• InChI: InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15+,17+/m1/s1
• InChIKey: HGVDHZBSSITLCT-KMFMINBZSA-N
• SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)NC3CC(CCC3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C

N-(5-Chloropyridin-2-yl)-N’-[(1S,2S,4R)-4-[(dimethylamino)carbonyl]-2-[[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]ethanediamide is a complex, stereochemically defined compound used in medicinal chemistry. It features a range of bioactive groups, including chloropyridine, thiazolopyridine, and cyclohexyl moieties, along with amide linkages and a dimethylaminocarbonyl group. Its structure suggests potential application in drug discovery, where it may serve as a receptor ligand or enzyme inhibitor. The intricate molecular configuration, including stereochemistry, allows for specific interactions with biological targets, likely in therapeutic areas such as cancer, immune modulation, or neurological disorders, supporting its use in pharmaceutical research.