RO4929097

Description: RO4929097 is a γ secretase inhibitor with IC50 of 4 nM in a cell-free assay, inhibiting cellular processing of Aβ40 and Notch with EC50 of 14 nM and 5 nM, respectively and in Phase 2.

• Catalog: OFC847925911
• CAS: 847925-91-1
• Category: Fluorinated APIs
• Purity: >98%

• IUPAC Name: 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
• InChI: InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
• InChI Key: OJPLJFIFUQPSJR-INIZCTEOSA-N
• Isomeric SMILES: CC(C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3NC1=O

• Molecular Formula: C22H20F5N3O3
• Molecular Weight: 469.40
• Appearance: White to off-white solid powder

• XLogP3-AA: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 469.14248232 g/mol
• Monoisotopic Mass: 469.14248232 g/mol
• Topological Polar Surface Area: 87.3Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 771