ChemicalBook--->CAS DataBase List--->797035-11-1

797035-11-1

797035-11-1 Structure

797035-11-1 Structure
IdentificationBack Directory
[Name]

BETA-SECRETASE INHIBITOR IV
[CAS]

797035-11-1
[Synonyms]

BACE-1 inhibitor
γ-Secretase Inhibitor IV
β-Secretase Inhibitor IV
β-Secretase Inhibitor IV
BETA-SECRETASE INHIBITOR IV
N-((1S,2R)-1-BENZYL-3-CYCLOPROPYLAMINO-2-HYDROXY-PROPYL)-5-(METHANESULFONYL-METHYL-AMINO)-N'-((R)-1-PHENYL-ETHYL)-ISOPHTHALAMIDE
N1-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide
3-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
1,3-BENZENEDICARBOXAMIDE, N1-[(1S,2R)-3-(CYCLOPROPYLAMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N3-[(1R)-1-PHENYLETHYL]-
[Molecular Formula]

C31H38N4O5S
[MDL Number]

MFCD09037559
[MOL File]

797035-11-1.mol
[Molecular Weight]

578.72
Chemical PropertiesBack Directory
[density ]

1.30±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 20 mg/ml; DMSO: 20 mg/ml; Ethanol: 10 mg/ml
[form ]

A crystalline solid
[pka]

13.72±0.46(Predicted)
[color ]

Off-white to light yellow
[InChIKey]

VPNIQGRFZCTBEZ-SPTGULJVSA-N
[SMILES]

O=C(C1=CC(C(N[C@@H](CC2=CC=CC=C2)[C@H](O)CNC3CC3)=O)=CC(N(S(C)(=O)=O)C)=C1)N[C@H](C)C4=CC=CC=C4
Safety DataBack Directory
[WGK Germany ]

WGK 1
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

beta-Secretase Inhibitor IV is a compound that binds to the active site of BACE-1 and potently blocks its proteolytic activity.
[Biological Activity]

Cell permeable: yes''Primary Target
β-Secretase''Reversible: yes''Target IC50: 15 nM for BACE-1human and 29 nM for sAPP_NF in HEK293-APPNFEV cells
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