Identification | Back 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 Properties | Back 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 Information | Back 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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