MRK-560

Description: MRK-560 is an orally bioavailable gamma-secretase inhibitor with the ability to markedly reduce Abeta peptide in the brain and CSF of the rat and confirm the utility of the rat for assessing the effects of gamma-secretase inhibitors on central nervous system.

• Catalog: OFC677772848
• CAS: 677772-84-8
• Category: Fluorinated APIs
• Synonyms: N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
• Purity: >98%

• IUPAC Name: N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
• InChI: InChI=1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2
• InChI Key: WDZVWDXOIGQJIO-UHFFFAOYSA-N
• Isomeric SMILES: C1CC(CCC1NS(=O)(=O)C(F)(F)F)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

• Molecular Formula: C19H17ClF5NO4S2
• Molecular Weight: 517.92
• Appearance: White to off-white solid powder

• XLogP3-AA: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 517.0207689 g/mol
• Monoisotopic Mass: 517.0207689 g/mol
• Topological Polar Surface Area: 97.1Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 856