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DAPT (GSI-IX) 500mg

CAT: 0628-A10288-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A10288-500Size:500 mg
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CAS Number
208255-80-5

Chemical Information

Dapt

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.

CAS Number208255-80-5
PubChem CID5311272
IUPAC Nametert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
Molecular FormulaC23H26F2N2O4
Molecular Weight432.5
XLogP3.7
Topological Polar Surface Area84.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity622
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)F
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
Chemical Structure
2D Structure
2D structure of Dapt
CAS: 208255-80-5
CID: 5311272
Formula: C23H26F2N2O4
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass432.18606364
Monoisotopic Mass432.18606364
Topological Polar Surface Area84.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity622
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A8200-50DAPT (GSI-IX)
D1065-95DAPT (GSI-IX, Secretase, gamma Inhibitor IX) discontinued. See 044723
MBS655431-01Secretase, gamma Inhibitor IX (DAPT N-[N-(3,5-Difluorophenacetyl-L-alanyl)]-S-phenylglycine t-Butyl Ester)
ALX-270-416-M025DAPT

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