Synthesis and Determination of Physicochemical Properties of New 3-(4-Arylpiperazin-1-yl)-2-hydroxypropyl 4-Alkoxyethoxybenzoates

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 ) and dissociation constant (p ) were experimentally determined and compared to the software calculated da...

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Bibliographic Details
Published in:Molecules (Basel, Switzerland) Switzerland), 2016-12, Vol.21 (12), p.1682-1682
Main Authors: Marvanova, Pavlina, Padrtova, Tereza, Odehnalova, Klara, Hosik, Ondrej, Oravec, Michal, Mokry, Petr
Format: Article
Language:English
Subjects:
arylcarbonyloxyaminopropanols
Benzoates - chemical synthesis
Benzoates - chemistry
blood–brain barrier
Chemical Phenomena
Chromatography
Chromatography, High Pressure Liquid - methods
Chromatography, Reverse-Phase - methods
Communication
Hydrogen-Ion Concentration
Hydrophobic and Hydrophilic Interactions
Lipids - chemistry
Lipinski rules
lipophilicity index
Pharmaceuticals
phenylpiperazines
pKa determination
Potassium
Software
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Summary: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 ) and dissociation constant (p ) 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 p 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.
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules21121682