0466771 - ÚVGZ 2017 RIV CH eng J - Journal Article
Marvanová, P. - Padrtová, T. - Odehnalová, K. - Hošík, O. - Oravec, Michal - Mokrý, P.
Synthesis and Determination of Physicochemical Properties of New 3-(4-Arylpiperazin-1-yl)-2-hydroxypropyl 4-Alkoxyethoxybenzoates.
Molecules. Roč. 21, č. 12 (2016), č. článku 1682. ISSN 1420-3049. E-ISSN 1420-3049
R&D Projects: GA MŠMT(CZ) LM2015061; GA MŠMT(CZ) LO1415
Research Infrastructure: CzeCOS II - 90061
Institutional support: RVO:67179843
Keywords : arylcarbonyloxyaminopropanols * phenylpiperazines * pKa determination * lipophilicity index * Lipinski rules * blood–brain barrier
Subject RIV: EH - Ecology, Behaviour
Impact factor: 2.861, year: 2016 ; AIS: 0.628, rok: 2016
DOI: https://doi.org/10.3390/molecules21121682

Nine new dihydrochloride salts of 3-(4-arylpiperazin-1-yl)-2-hydroxypropyl 4-alkoxyethoxybenzoates were designed and synthesized. The physicochemical properties such as lipophilicity index (log kw) and dissociation constant (pKa) were experimentally determined and compared to the software calculated data. The lipophilicity index was determined by means of reversed-phase high performance liquid chromatography (RP-HPLC). The pKa values were determined by means of capillary zone electrophoresis. The “drug-likeness” properties according to the Lipinski Rule of Five and prediction of possible blood–brain barrier penetration were computed and discussed.
Permanent Link: http://hdl.handle.net/11104/0265009