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CHEBI:87359 - LY-411575

ChEBI IDCHEBI:87359
ChEBI NameLY-411575
Stars
DefinitionA 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 γ-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.
Last Modified19 August 2015
SubmitterTheOtherDave
DownloadsMolfile
FormulaC26H23F2N3O4
Net Charge0
Average Mass479.483
Monoisotopic Mass479.16566
SMILES[H][C@@]1(NC(=O)[C@H](C)NC(=O)[C@@H](O)c2cc(F)cc(F)c2)C(=O)N(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1
InChIKeyULSSJYNJIZWPSB-CVRXJBIPSA-N
Roles Classification
Biological Role:
EC 3.4.23.46 (memapsin 2) inhibitor  An EC 3.4.23.* (aspartic endopeptidase) inhibitor that interferes with the activity of memapsin 2 (EC 3.4.23.46).
ChEBI Ontology
Outgoing Relation(s)
LY-411575 (CHEBI:87359) has role EC 3.4.23.46 (memapsin 2) inhibitor (CHEBI:74925)
LY-411575 (CHEBI:87359) is a dibenzoazepine (CHEBI:47804)
LY-411575 (CHEBI:87359) is a difluorobenzene (CHEBI:38582)
LY-411575 (CHEBI:87359) is a lactam (CHEBI:24995)
LY-411575 (CHEBI:87359) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
N2-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-N-[(7S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-L-alaninamide
Synonyms  Source
LY-411575SUBMITTER
LSN-411575ChEBI
LY411575ChEBI
N2-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyethanoyl]-N1-[(7S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-L-alaninamideChEBI
Registry NumbersSources
Reaxys:10736555Reaxys
CAS:209984-57-6SUBMITTER
Citations