CHEBI:87359 - LY-411575

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ChEBI Name LY-411575
ChEBI ID CHEBI:87359
Definition 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 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter TheOtherDave
Supplier Information
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Formula C26H23F2N3O4
Net Charge 0
Average Mass 479.47530
Monoisotopic Mass 479.16566
InChI InChI=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
InChIKey ULSSJYNJIZWPSB-CVRXJBIPSA-N
SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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 Sources
LSN-411575 ChEBI
LY-411575 SUBMITTER
LY411575 ChEBI
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-alaninamide ChEBI
Registry Numbers Types Sources
10736555 Reaxys Registry Number Reaxys
209984-57-6 CAS Registry Number SUBMITTER
Citations Waiting for Citations Types Sources
14718585 PubMed citation Europe PMC
15743924 PubMed citation Europe PMC
17897827 PubMed citation Europe PMC
19419556 PubMed citation Europe PMC
22824752 PubMed citation Europe PMC
23209290 PubMed citation Europe PMC
23312516 PubMed citation Europe PMC
23901284 PubMed citation Europe PMC
24113577 PubMed citation Europe PMC
24223998 PubMed citation Europe PMC
24884926 PubMed citation Europe PMC
25781991 PubMed citation Europe PMC
Last Modified
19 August 2015