Luo, Li; Song, Qing; Li, Yan; Cao, Zhongcheng; Qiang, Xiaoming; Tan, Zhenghuai; Deng, Yong published the artcile< Design, synthesis and evaluation of phthalide alkyl tertiary amine derivatives as promising acetylcholinesterase inhibitors with high potency and selectivity against Alzheimer's disease>, Computed Properties of 531-88-4, the main research area is aminoalkyl dihydrobenzofuranone preparation cholinesterase SAR mol docking; Acetylcholinesterase inhibitors; Alzheimer’s disease; Anti-Aβ aggregation; Antioxidant; DL-3-n-butylphthalide derivatives; Multi-target agents.
A series of phthalide alkyl tertiary amine derivatives I, II and III [R1 = Me, Et; R = Et, MeO, Bn, 2-MeOBn, 2-Me2NBn] were designed, synthesized and evaluated as potential multi-target agents against Alzheimer’s disease (AD). The results indicated that almost all the compounds I, II and III displayed significant AChE inhibitory and selective activities. Besides, most of the derivatives I, II and III exhibited increased self-induced Aβ1-42 aggregation inhibitory activity compared to the lead compound DL-NBP, and some compounds also exerted good antioxidant activity. Specifically, compound I [R1 = R2 = Et] showed the highest inhibitory potency toward AChE (IC50 = 2.66 nM), which was significantly better than Donepezil (IC50 = 26.4 nM). Moreover, mol. docking studies revealed that compound I [R1 = R2 = Et] was bind to both the catalytic active site and peripheral anionic site of AChE. Furthermore, compound I [R1 = R2 = Et] displayed excellent BBB permeability in-vitro. Importantly, the step-down passive avoidance test indicated that I [R1 = R2 = Et] significantly reversed scopolamine-induced memory deficit in mice. Collectively, these results suggested that I [R1 = R2 = Et] was a potent and selective AChE inhibitor for further anti-AD drug development.
Bioorganic & Medicinal Chemistry published new progress about Cholinesterase inhibitors. 531-88-4 belongs to class benzofurans, and the molecular formula is C10H10O4, Computed Properties of 531-88-4.
Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem