The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-Methylpiperidin-4-one hydrochloride, is researched, Molecular C6H12ClNO, CAS is 13729-77-6, about Methyl-substitution of an iminohydantoin spiropiperidine β-secretase (BACE-1) inhibitor has a profound effect on its potency, the main research direction is iminohydantoin spiropiperidine derivative preparation structure BACE1 inhibitor; Amyloid; Beta secretase; Magic methyl effect; Spiropiperidine.Safety of 2-Methylpiperidin-4-one hydrochloride.
The IC50 of a beta-secretase (BACE-1) lead compound was improved ∼200-fold from 11 μM to 55 nM through the addition of a single Me group. Computational chem., small mol. NMR, and protein crystallog. capabilities were used to compare the solution conformation of the ligand under varying pH conditions to its conformation when bound in the active site. Chem. modification then explored available binding pockets adjacent to the ligand. A strategically placed Me group not only maintained the required pKa of the piperidine nitrogen and filled a small hydrophobic pocket, but more importantly, stabilized the conformation best suited for optimized binding to the receptor.
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