Lipophilicity determination of acidic compounds: MEEKC as a reliable high-throughput methodology

Abstract

In the present study a pressure-assisted MEEKC method with reversed-polarity using a conventional CE instrument with UV detection and uncoated fused silica capillaries is validated as a high-throughput methodology for the lipophilicity determination of the neutral species of acidic compounds (pK a > 3.5). After the calibration of the system with four standard compounds of known log P o/w , mass distribution ratios (log k MEEKC ) of new molecules can be directly converted into log P o/w values by means of a simple linear equation (log P o/w =a·log k MEEKC +b). The method was internally and externally validated for a log

Determination of physicochemical parameters of (bio)molecules and (bio)particles by capillary electromigration methods

“…Also, the structures of standards and samples should be as similar as possible in order to avoid incorrect estimation of the partition coefficient. MEEKC-UV method with the reversed polarity of separation voltage and application of external pressure was developed for the lipophilicity (log P values between −1.54 and 4.75) determination of the neutral species of acidic compounds (pK a > 3.5) [259]. First, log P values of 51 structurally acidic substances found in the literature were plotted against the log k values determined by the MEEKC method.…”

Chromatographic technique to support ADMET&DMPK in early drug discovery

“…The application of pressure assisted Microemulsion Electro-kinetic Chromatography for lipophilicity determination has also been described by the same research group in a second contribution [2].…”