Dapt
tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
Molecular Identity
Dapt
tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
PubChem CID: 5311272
DAPT is a dipeptide consisting of alanylphenylglycine derivatised as a 3,5-difluorophenylacetamide at the amino terminal and a tert-butyl ester at the carboxy terminal. It is a gamma-secretase inhibitor. It has a role as an EC 3.4.23.46 (memapsin 2) inhibitor. It is a tert-butyl ester, a carboxylic ester, a difluorobenzene and a dipeptide.
2D Structure
Properties
C23H26F2N2O4
Molecular Formula
432.50
Molecular Weight
g/mol
432.1861
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
84.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
622
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)FIsomeric SMILES
SMILES: C[C@@H](C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)FSynonyms(20)
daptGSI-IXtert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetateCHEBI:86193tert-butyl (2S)-2-(((2S)-2-((2-(3,5-difluorophenyl)acetyl)amino)propanoyl)amino)-2-phenylacetateRefChem:1082973208255-80-5DAPT (GSI-IX)gamma-Secretase Inhibitor IXtert-butyl (S)-2-((S)-2-(2-(3,5-difluorophenyl)acetamido)propanamido)-2-phenylacetateMFCD04974585GSI IXDAPT (GMP)(S)-tert-butyl 2-((S)-2-(2-(3,5-difluorophenyl)acetamido)propanamido)-2-phenylacetateGlycine, N-[2-(3,5-difluorophenyl)acetyl]-L-alanyl-2-phenyl-, 1,1-dimethylethyl ester, (2S)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dapt
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