LY-411575

Chemical Information
LY-411575 is a dibenzoazepine that is 5,7-dihydro-6H-dibenzo[b,d]azepin-6-one which is substituted at the 7 pro-S position by the C-terminal carboxamide nitrogen of N2-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-L-alaninamide. It is a potent, cell permeable and selective gamma-secretase inhibitor. It has been tested as a possible treatment for Alzheimer's disease and shows promise for its potential to counteract severe hearing loss. It has a role as an EC 3.4.23.46 (memapsin 2) inhibitor. It is a lactam, a secondary alcohol, a difluorobenzene and a dibenzoazepine.
| CAS Number | 209984-57-6 |
| PubChem CID | 10435235 |
| IUPAC Name | (2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanamide |
| Molecular Formula | C26H23F2N3O4 |
| Molecular Weight | 479.5 |
| XLogP | 3 |
| Topological Polar Surface Area | 98.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 789 |
| Property | Value |
|---|---|
| Molecular Weight | 479.5 |
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 479.16566255 |
| Monoisotopic Mass | 479.16566255 |
| Topological Polar Surface Area | 98.7 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 789 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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