{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Khan BA"],"funding":["King Khalid University","Higher Education Commission, Pakistan"],"pagination":["29452-29464"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9404513"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["7(33)"],"pubmed_abstract":["Ethyl 4-(4-fluorophenylamino)-2,6-bis(4-(trifluoromethyl)phenyl)-1-(4-fluoro-phenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate (<b>FTEAA</b>) has been synthesized efficiently in an iodine-catalyzed five-component reaction of 4-fluoroaniline, 4-trifluoromethyl benzaldehyde, and ethyl acetoacetate in methanol at 55 °C for 12 h. Various spectro-analytical techniques such as <sup>1</sup>H and <sup>13</sup>C NMR and Fourier-transform infrared spectroscopy have validated the structure of <b>FTEAA</b>. Further confirmation of the structure of <b>FTEAA</b> has been established on the basis of single-crystal X-ray diffraction analysis. The supramolecular assembly of <b>FTEAA</b> in terms of strong and comparatively weak noncovalent interactions is fully investigated by Hirshfeld surface analysis, th"],"journal":["ACS omega"],"pubmed_title":["Exploring Highly Functionalized Tetrahydropyridine as a Dual Inhibitor of Monoamine Oxidase A and B: Synthesis, Structural Analysis, Single Crystal XRD, Supramolecular Assembly Exploration by Hirshfeld Surface Analysis, and Computational Studies."],"pmcid":["PMC9404513"],"funding_grant_id":["RGP.1/318/43","NRPU-6455"],"pubmed_authors":["Khan BA","Ashfaq M","Alarfaji SS","Muhammad S","Munawar KS","Tahir MN","Al-Sehemi AG"],"additional_accession":[]},"is_claimable":false,"name":"Exploring Highly Functionalized Tetrahydropyridine as a Dual Inhibitor of Monoamine Oxidase A and B: Synthesis, Structural Analysis, Single Crystal XRD, Supramolecular Assembly Exploration by Hirshfeld Surface Analysis, and Computational Studies.","description":"Ethyl 4-(4-fluorophenylamino)-2,6-bis(4-(trifluoromethyl)phenyl)-1-(4-fluoro-phenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate (<b>FTEAA</b>) has been synthesized efficiently in an iodine-catalyzed five-component reaction of 4-fluoroaniline, 4-trifluoromethyl benzaldehyde, and ethyl acetoacetate in methanol at 55 °C for 12 h. Various spectro-analytical techniques such as <sup>1</sup>H and <sup>13</sup>C NMR and Fourier-transform infrared spectroscopy have validated the structure of <b>FTEAA</b>. Further confirmation of the structure of <b>FTEAA</b> has been established on the basis of single-crystal X-ray diffraction analysis. The supramolecular assembly of <b>FTEAA</b> in terms of strong and comparatively weak noncovalent interactions is fully investigated by Hirshfeld surface analysis, th","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Aug","modification":"2026-05-27T23:04:30.515Z","creation":"2024-11-20T00:11:24.227Z"},"accession":"S-EPMC9404513","cross_references":{"pubmed":["36033707"],"doi":["10.1021/acsomega.2c03909"]}}