BuChE-IN-11 (Compound 3b-1) is a selective inhibitor of BuChE with an IC50 of 0.44 μM for hBuChE. The compound demonstrates high brain-blood barrier permeability and possesses free radical scavenging capabilities, indicating significant antioxidant activity. BuChE-IN-11 interacts with the choline binding site, the acyl binding site, and the peripheral anionic site, showing submicromolar inhibitory activity against BuChE and preventing the self-aggregation of β-amyloid protein (Aβ). This compound holds promise for research in the field of Alzheimer's disease.

BCHE (human):0.44 μM

BuChE-IN-11 (Compound 3b-1) shows significant antioxidant activity at concentrations of 0.1-1 µM over 120 minutes. At 20 µM over 48 hours, it effectively inhibits αβ1-42 aggregation. Concentrations below 25 μM (12.5-100 μM for PC12, 25-100 μM for AML12, over 24 hours) exhibit no significant toxicity to PC12 and AML12 cells. Additionally, BuChE-IN-11 demonstrates good blood-brain barrier permeability (CNS+), allowing it to cross the blood-brain barrier effectively. The compound is predicted to have high gastrointestinal absorption and a low risk of cardiotoxicity.