Lipophilicity of New Anticancer 1, 6- and 3, 6-diazaphenothiazines by of Use RP TLC and Different Computational Methods. (7th February 2018)

• Record Type: Journal Article
• Authors: Morak-Młodawska, Beata; Pluta, Krystian; Jeleń, Małgorzata
• Is Part Of: Journal of chromatographic science. Volume 56:Number 4(2018:Apr.)
• Page Start: 376
• Page End: 381
• Publication Date: 2018-02-07
• Subjects: Chromatographic analysis -- Periodicals; 543.8
• DOI: 10.1093/chromsci/bmy006
• Languages: English
• ISSNs: 0021-9665

Abstract

Abstract: 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.