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398515-96-3

398515-96-3 Structure

398515-96-3 Structure
IdentificationBack Directory
[Name]

31C
[CAS]

398515-96-3
[Synonyms]

31C
III-31-C
WPE-III-31C
III-31-C >=98% (HPLC), solid
GAMMA-SECRETASE INHIBITOR XVII
N-[[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-L-leucyl-L-valine methyl ester
L-Valine, N-[[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-L-leucyl-, methyl ester
[Molecular Formula]

C35H52N4O7
[MDL Number]

MFCD04974985
[MOL File]

398515-96-3.mol
[Molecular Weight]

640.81
Chemical PropertiesBack Directory
[Boiling point ]

832.6±65.0 °C(Predicted)
[density ]

1.135±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: ≥9mg/mL
[form ]

solid
[pka]

12.04±0.46(Predicted)
Safety DataBack Directory
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

III-31-C is a (hydroxyethyl)urea γ-secretase inhibitor. III-31-C inhibits A? production with an IC50 of 10 nM in the cell-free γ-secretase assay and 200 nM in APP-transfected cells. III-31-C can be used in Alzheimer's disease research[1].
[Biological Activity]

III-31-C is a (hydroxyethyl)urea γ-secretase inhibitor th at binds to γ-secretase at the substrate docking site. DAPTalso a γ-secretase inhibitor binds to the substrate docking site as well. III-31-C is useful for the affinity isolation and characterization of the protease complex and for testing other ihhibitors th at affect the γ-secretase active site. The γ-secretase complex is composed of presenilin as a catalytic component and three integral membrane proteinsnicastrinAph-1 and Pen-2.
[References]

[1] Kornilova AY, et al. Differential effects of inhibitors on the gamma-secretase complex. Mechanistic implications. J Biol Chem. 2003 May 9;278(19):16470-3. DOI:10.1074/jbc.C300019200
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