| Identification | Back Directory | [Name]
Pyrrolo[3,4-d][1,3]thiazin-2-amine, 4,4a,5,6,7,7a-hexahydro-7a-[(1R,2R)-2-[1-methyl-1-[[(1R,2R)-2-methylcyclopropyl]methoxy]ethyl]cyclopropyl]-6-(2-pyrimidinyl)-, (4aR,7aR)- | [CAS]
2671036-34-1 | [Synonyms]
BACE1/2-IN-1
Pyrrolo[3,4-d][1,3]thiazin-2-amine, 4,4a,5,6,7,7a-hexahydro-7a-[(1R,2R)-2-[1-methyl-1-[[(1R,2R)-2-methylcyclopropyl]methoxy]ethyl]cyclopropyl]-6-(2-pyrimidinyl)-, (4aR,7aR)- | [Molecular Formula]
C21H31N5OS | [MOL File]
2671036-34-1.mol | [Molecular Weight]
401.57 |
| Hazard Information | Back Directory | [Uses]
BACE1/2-IN-1 (compound 34) is a potent BACE1 and BACE2 inhibitor, with an IC50 of 0.01 and 0.0053 μM, respectively. BACE1/2-IN-1 shows a combination of lower Pgp efflux ratio and improved passive permeability. BACE1/2-IN-1 displays reduced liver microsomal metabolic stability[1]. | [in vivo]
BACE1/2-IN-1 (compound 34) (PDAPP (V717F) transgenic mice, 0-100 mg/kg, Subcutaneous injection, once) shows significant reduction in PDAPP mouse cortex Aβ at 100?mg/kg (40%), and 30?mg/kg (24%), but not at 10?mg/kg (12%NS)[1]. | [IC 50]
BACE1; BACE2 | [References]
[1] Winneroski LL, et al. Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg Med Chem. 2020 Jan 1;28(1):115194. DOI:10.1016/j.bmc.2019.115194 |
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