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1676107-08-6

1676107-08-6 Structure

1676107-08-6 Structure
IdentificationBack Directory
[Name]

1,3-Benzenedicarboxamide, N3-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methyl]amino]propyl]-N1,5-dimethyl-N1-[(1R)-1-phenylethyl]-
[CAS]

1676107-08-6
[Synonyms]

BACE2-IN-1
BACE-2 Inhibitor
1,3-Benzenedicarboxamide, N3-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methyl]amino]propyl]-N1,5-dimethyl-N1-[(1R)-1-phenylethyl]-
[Molecular Formula]

C36H38F3N3O3
[MOL File]

1676107-08-6.mol
[Molecular Weight]

617.7
Chemical PropertiesBack Directory
[Boiling point ]

784.1±60.0 °C(Predicted)
[density ]

1.217±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

13.97±0.20(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

BACE2-IN-1 (compound 3l) is a highly selective BACE2 inhibitor with a Ki value of 1.6 nM. BACE2 inhibitors can be used to research of Type 2 Diabetes[1].
[IC 50]

BACE2: 1.6 nM (Ki); BACE1: 815.1 nM (Ki)
[References]

[1] Ghosh AK, et al. Highly Selective and Potent Human β-Secretase 2 (BACE2) Inhibitors against Type 2 Diabetes: Design, Synthesis, X-ray Structure and Structure-Activity Relationship Studies. ChemMedChem. 2019 Mar 5. 14(5):545-560. DOI:10.1002/cmdc.201800725
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