For research use only. Not for therapeutic Use.
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].
BACE2-IN-1 (compound 3l) inhibits BACE2 with an Ki value of 1.6 nM, 500 fold over BACE1 (Ki = 815.1 nM)[1].
| Catalog Number | I043464 |
| CAS Number | 1676107-08-6 |
| Synonyms | 1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-3-N,5-dimethyl-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide |
| Molecular Formula | C36H38F3N3O3 |
| Purity | ≥95% |
| InChI | InChI=1S/C36H38F3N3O3/c1-24-17-29(21-30(18-24)35(45)42(3)25(2)28-14-8-5-9-15-28)34(44)41-32(20-26-11-6-4-7-12-26)33(43)23-40-22-27-13-10-16-31(19-27)36(37,38)39/h4-19,21,25,32-33,40,43H,20,22-23H2,1-3H3,(H,41,44)/t25-,32+,33-/m1/s1 |
| InChIKey | KQGVKXJLEHXBDS-CBHGIOBQSA-N |
| SMILES | CC1=CC(=CC(=C1)C(=O)N(C)C(C)C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(CNCC4=CC(=CC=C4)C(F)(F)F)O |
| Reference | [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. |
