Kosak, Urban published the artcileThe Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity, HPLC of Formula: 39546-32-2, the publication is Journal of Medicinal Chemistry (2018), 61(1), 119-139, database is CAplus and MEDLINE.
The enzymic activity of butyrylcholinesterase (BChE) in the brain increases with the progression of Alzheimer’s disease, thus classifying BChE as a promising drug target in advanced Alzheimer’s disease. Structure-based drug discovery approaches to develop potent, selective and reversible human BChE inhibitors was used. The most potent, compound I, had a picomolar inhibition constant vs. BChE due to strong cation-π interactions, as revealed by the solved crystal structure of its complex with human BChE. Addnl., compound I inhibits BChE ex vivo and is noncytotoxic. In vitro pharmacokinetic experiments show that compound I is highly protein bound, highly permeable and metabolically stable. Finally, compound I crosses the blood-brain barrier, and it improves memory, cognitive functions and learning abilities of mice in a scopolamine model of dementia. Compound I is thus a promising advanced lead compound for the development of drugs for alleviating symptoms of cholinergic hypofunction in patients with advanced Alzheimer’s disease.
Journal of Medicinal Chemistry published new progress about 39546-32-2. 39546-32-2 belongs to piperidines, auxiliary class Piperidine,Amine,Amide, name is Piperidine-4-carboxamide, and the molecular formula is C6H12N2O, HPLC of Formula: 39546-32-2.
Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem