Morak-Młodawska Beata, Pluta Krystian, Jeleń Małgorzata
Department of Organic Chemistry, The Medical University of Silesia, Jagiellońska 4, Sosnowiec 41-200, Poland
Department of Organic Chemistry, The Medical University of Silesia, Jagiellońska 4, Sosnowiec 41-200, Poland.
J Chromatogr Sci. 2015 Apr;53(4):462-6. doi: 10.1093/chromsci/bmu065. Epub 2014 Jun 30.
The lipophilicity of anticancer and immunosuppressant active 1,8-diazaphenothiazine derivatives ( 1: - 16: ) has been investigated. Their lipophilicity (RM0 and log PTLC) was determined by reversed-phase thin-layer chromatography with mixtures of acetone and TRIS buffer as mobile phases. The parameter RM0 and specific hydrophobic surface area b were significantly intercorrelated showing congeneric classes of dipyridothiazines. The parameter RM0 was discussed in the terms of the structure-lipophilicity relationships and transformed into parameter log PTLC by use of the calibration curve. The lipophilicity was correlated with molecular and biomolecular descriptors (human intestinal absorption, blood-brain barrier, plasma protein binding, MDCK) and in vitro tumor necrosis factor alpha inhibition and antiproliferative activity.
已对具有抗癌和免疫抑制活性的1,8 - 二氮杂吩噻嗪衍生物（1： - 16： ）的亲脂性进行了研究。它们的亲脂性（RM0和log PTLC）通过以丙酮和TRIS缓冲液混合物为流动相的反相薄层色谱法测定。参数RM0和特定疏水表面积b显著相互关联，表明二吡啶并噻嗪类同系物。根据结构 - 亲脂性关系对参数RM0进行了讨论，并通过校准曲线将其转化为参数log PTLC。亲脂性与分子和生物分子描述符（人肠道吸收、血脑屏障、血浆蛋白结合、MDCK）以及体外肿瘤坏死因子α抑制和抗增殖活性相关。
