5-HT1AR are one of the most widely studied serotonin receptors. The agonists of 5-HT1AR have found widespread use in the treatment of CNS diseases, such as mood or psychotic disorders. Recent reports suggest the efficacy of 5-HT1AR ligands in neuroprotection, the treatment of Parkinson's disease, pain, malignant carcinoid syndrome and cancer. Furthermore, the 5-HT1AR has been shown to be involved in carcinogenesis and consequently in many human types of cancers. There are reports in the literature on the effectiveness of 5-HT1AR antagonists that have cytotoxic and proapoptotic activity against various cancer cell lines. Considering the facts presented above, it seems reasonable to search for new, selective 5-HT1AR ligands as potential drugs in the treatment of certain cancers. The aim of the study was synthesis of heterocyclic N-alkyl-4-arylpiperazine-1-carboxamides derivatives in search for selective 5-HT1AR ligands. This group was chosen because of their low basicity, which may be associated with greater selectivity and less number of side effects during potential use. The structures for synthesis were designed using molecular modeling methods (protein-ligand docking, QM/MM, molecular dynamics). The compounds were obtained as a result of a three-step synthesis carried out in the microwave radiation field, include synthesis of 4-arylpiperazine-1-carboxamide in solvent-free reaction in alloy of arylpiperazine and urea, alkylation of heterocycle with dibromoalkanes (using K2CO3 and phase transfer catalyst) and condensation of two of obtained intermediates (using K2CO3 and phase transfer catalyst). The obtained compounds were characterized by high selectivity to 5-HT1AR, which may indicate their potential usefulness in the treatment of prostate cancer. What's more, the development of a new, ecological synthesis method has allowed to improve the ecological values of the synthesis.

New N-alkyl-4-arylpiperazine-1-carboxamides derivatives as selective 5-HT1A receptor ligands with low basicity

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.