Lipophilicity of New Anticancer 1,6-and 3,6-diazaphenothiazines by of Use RP TLC and Different Computational Methods

The lipophilicity of new two series of anticancer active 10-substituted 1,6- and 3,6-diazaphenothiazines has been investigated using reversed-phase thin-layer chromatography. Their lipophilicity (R-M0 and log P-TLC) was determined with mixtures of acetone and Tris buffer as mobile phases. The relative lipophilicity parameter R-M0 and specific hydrophobic surface area b were significantly intercorrelated showing congeneric classes of diazaphenothiazines. The parameter R-M0 was transformed into parameter log P-TLC by use of the calibration curve. The parameter log P-TLC was compared with computationally calculated lipophilic parameters log P-calcd. The lipophilicity was discussed with the structure elements and was correlated with molecular descriptors, ADME properties and in vitro anticancer activities.