CHEBI:86193 - DAPT

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ChEBI Name DAPT
ChEBI ID CHEBI:86193
Definition A dipeptide consisting of alanylphenylglycine derivatised as a 3,5-difluorophenylacetamide at the amino terminal and a tert-butyl ester at the carboxy terminal. A γ-secretase inhibitor.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Ceri
Supplier Information
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Formula C23H26F2N2O4
Net Charge 0
Average Mass 432.461
Monoisotopic Mass 432.186
InChI InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1
InChIKey DWJXYEABWRJFSP-XOBRGWDASA-N
SMILES C([C@@H](NC(=O)[C@@H](NC(=O)CC1=CC(=CC(=C1)F)F)C)C2=CC=CC=C2)(=O)OC(C)(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing DAPT (CHEBI:86193) has role EC 3.4.23.46 (memapsin 2) inhibitor (CHEBI:74925)
DAPT (CHEBI:86193) is a tert-butyl ester (CHEBI:140402)
DAPT (CHEBI:86193) is a carboxylic ester (CHEBI:33308)
DAPT (CHEBI:86193) is a difluorobenzene (CHEBI:38582)
DAPT (CHEBI:86193) is a dipeptide (CHEBI:46761)
IUPAC Name
tert-butyl (2S)-({N-[(3,5-difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)acetate
Synonyms Sources
Dapt SUBMITTER
γ-secretase inhibitor IX SUBMITTER
tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate SUBMITTER
Registry Number Type Source
9588440 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24520550 PubMed citation Europe PMC
24751889 PubMed citation Europe PMC
25063285 PubMed citation Europe PMC
25997279 PubMed citation Europe PMC
26607252 PubMed citation Europe PMC
Last Modified
09 March 2018