Synthesis and Determination of Physicochemical Properties of New 3-(4-Arylpiperazin-1-yl)-2-hydroxypropyl 4-Alkoxyethoxybenzoates
| Autor: | Tereza Padrtova, Petr Mokry, Michal Oravec, Klara Odehnalova, Ondrej Hosik, Pavlina Marvanova |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
pKa determination
lipophilicity index Chemical Phenomena Lipinski rules Pharmaceutical Science blood–brain barrier 010402 general chemistry Benzoates 01 natural sciences High-performance liquid chromatography Analytical Chemistry lcsh:QD241-441 Capillary electrophoresis lcsh:Organic chemistry arylcarbonyloxyaminopropanols Calculated data Drug Discovery phenylpiperazines Physical and Theoretical Chemistry Chromatography High Pressure Liquid Chromatography Reverse-Phase Chromatography Chemistry Communication 010401 analytical chemistry Organic Chemistry Penetration (firestop) Hydrogen-Ion Concentration Lipids 0104 chemical sciences Dissociation constant Chemistry (miscellaneous) Lipophilicity Lipinski's rule of five Molecular Medicine Hydrophobic and Hydrophilic Interactions Software |
| Zdroj: | Molecules Molecules, Vol 21, Iss 12, p 1682 (2016) |
| ISSN: | 1420-3049 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|