Walby, Grant D.; Martin, Stephen F. published the artcile< Preparation of novel analogs of 2-arylpiperidines and evaluation of their sigma receptor binding affinities>, Safety of (E)-Cinnamoyl chloride, the main research area is arylpiperidine preparation mol docking sigma receptor binding affinity; Binding affinities and selectivities; Computational docking; Scaffold simplification; Sigma receptors; Synthesis.
A number of substituted norbenzomorphans was previously identified as high affinity ligands for the two known sigma receptors σ1R and σ2R/TMEM97, and some norbenzomorphans that were selective for σ2R/TMEM97 exhibited promise in animal models of several neurol. disorders. Toward further assessing the effects of simplifying the norbenzomorphan scaffold, sets of 6-membered heterocycles were designed and prepared, and their binding affinities for σ1R and σ2R/TMEM97 were determined Consistent with the design strategy, N-acyl-2-arylpiperidines showed high affinity for σ2R/TMEM97, whereas those derived from morpholine and N-methylpiperazine had lower affinities. However, most of these 6-membered heterocycles unexpectedly exhibited even higher affinity for σ1R and were thus σ1R-selective. Computational docking studies showed that representative 6-membered heterocycles bind and interact with σ2R/TMEM97 in a manner similar to that of a docked structure of their norbenzomorphan parent. Collectively, these binding and computational studies supported our design strategy for developing simplified analogs of norbenzomorphans as σ2R/TMEM97 ligands, but they also underscore the challenges associated with developing selective modulators of σ2R/TMEM97.
European Journal of Medicinal Chemistry published new progress about Buchwald-Hartwig reaction. 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Safety of (E)-Cinnamoyl chloride.
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Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics