Synthesis and receptor binding of thiophene bioisosteres of potent GluN2B ligands with a benzo[7]annulene-scaffold

MedChemComm
2019.0

Abstract

The involvement of NMDA receptors containing the GluN2B subunit in neurodegenerative disorders including Alzheimer's and Parkinson's disease renders this NMDA receptor subtype an interesting pharmacological target. The aim of this study was the bioisosteric replacement of benzene, methoxybenzene and aniline moieties of known potent GluN2B selective NMDA receptor antagonists by a thiophene ring. In a nine-step synthesis starting from commercially available propionic acid <b>9</b> the thiophene derivative <b>7a</b> was obtained as a bioisostere of the potent GluN2B ligands <i>cis</i>-<b>3</b> and <i>trans</i>-<b>3</b>. [7]Annuleno[<i>b</i>]thiophene <b>8a</b> without a benzylic OH moiety was prepared in a six-step synthesis starting from carboxylic acid <b>18</b>. <b>8a</b> represents a bioisostere of potent GluN2B ligands <b>4</b> and <b>5</b>. [7]Annulenothiophene <b>8a</b> without a benzylic OH moiety reveals approx. 8-fold higher GluN2B affinity (<i>K</i> <sub>i</sub> = 26 nM) than the analogous thiophene derivative <b>7a</b> with a benzylic OH moiety (<i>K</i> <sub>i</sub> = 204 nM). Both thiophene bioisosteres show a slight preference for GluN2B receptors over both σ receptors. The data indicate that the bioisosteric replacement of benzene or substituted benzene rings by a thiophene ring is well tolerated by the NMDA receptor. Furthermore, the benzylic OH moiety seems not to be essential for high GluN2B affinity.

Knowledge Graph

Similar Paper

Synthesis and receptor binding of thiophene bioisosteres of potent GluN2B ligands with a benzo[7]annulene-scaffold
MedChemComm 2019.0
Thiophene bioisosteres of GluN2B selective NMDA receptor antagonists: Synthesis and pharmacological evaluation of [7]annuleno[b]thiophen-6-amines
Bioorganic &amp; Medicinal Chemistry 2020.0
Pyridine bioisosteres of potent GluN2B subunit containing NMDA receptor antagonists with benzo[7]annulene scaffold
European Journal of Medicinal Chemistry 2018.0
Hydroxymethyl bioisosteres of phenolic GluN2B-selective NMDA receptor antagonists: Design, synthesis and pharmacological evaluation
European Journal of Medicinal Chemistry 2018.0
Synthesis, GluN2B affinity and selectivity of benzo[7]annulen-7-amines
Bioorganic &amp; Medicinal Chemistry 2014.0
Impact of hydroxy moieties at the benzo[7]annulene ring system of GluN2B ligands: Design, synthesis and biological evaluation
Bioorganic &amp; Medicinal Chemistry 2019.0
2-Methyltetrahydro-3-benzazepin-1-ols – The missing link in SAR of GluN2B selective NMDA receptor antagonists
Bioorganic &amp; Medicinal Chemistry 2018.0
Synthesis and Biological Characterization of 3-Substituted 1H-Indoles as Ligands of GluN2B-ContainingN-Methyl-<scp>d</scp>-aspartate Receptors. Part 2
Journal of Medicinal Chemistry 2012.0
Do GluN2B subunit containing NMDA receptors tolerate a fluorine atom in the phenylalkyl side chain?
MedChemComm 2017.0
Deconstruction – reconstruction approach to analyze the essential structural elements of tetrahydro-3-benzazepine-based antagonists of GluN2B subunit containing NMDA receptors
European Journal of Medicinal Chemistry 2017.0