PDF(Pubmed)
Abstract：
The 5-heterocyclic 2-(2,4-dihydroxyphenyl)-1,3,4-thiadiazoles were obtained as potential biologically active compounds. Lipophilicity is one of the most important physicochemical properties of compounds and was already taken into account during the drug candidates design and development. The lipophilicity of compounds was determined using the computational (log P) and chromatography (log kw, RMw) methods. The experimental ones included the reverse-phase column high performance liquid chromatography RP (HPLC) with C8, C18, phosphatidylcholine (IAM), and cholesterol stationary phases and the thin layer chromatography (RP-HPTLC) with C8 and C18 stationary phases and various organic modifiers under the isocratic conditions. Descriptive statistics, correlation, and PCA analyses were used to compare the obtained results. For lipophilicity estimation of the tested compounds by HPTLC, dioxane and MeOH seem to be particularly beneficial as organic modifiers. The chromatographic lipophilicity parameters log kw (RMw) were well correlated and highly redundant (85%) compared with those calculated. Most compounds possess lipophilicity parameters within the recommended range for drug candidates.
摘要：
获得5-杂环2-（2,4-二羟基苯基）-1,3,4-噻二唑作为潜在的生物活性化合物。亲脂性是化合物最重要的物理化学性质之一,并且在候选药物设计和开发过程中已经被考虑。使用计算（logP）和色谱法（logkw，RMw)方法。实验包括用C8，C18，磷脂酰胆碱（IAM）进行反相柱高效液相色谱RP（HPLC），和胆固醇固定相以及在等度条件下具有C8和C18固定相以及各种有机改性剂的薄层色谱（RP-HPTLC）。描述性统计，相关性，和PCA分析用于比较获得的结果。为了通过HPTLC评估测试化合物的亲脂性，二恶烷和MeOH似乎作为有机改性剂特别有益。与计算值相比，色谱亲油性参数logkw（RMw）具有很好的相关性且高度冗余（85％）。大多数化合物具有在候选药物的推荐范围内的亲脂性参数。
