羟基化合物及其葡醛酸苷化学结构与RP-HPLC保留行为相关性研究

Studies on the RP-HPLC Retention Behavior Relationship Between the Structure of Hydroxy Compounds and Their Glucuronides

采用体外孵育生物合成方法获得羟基化合物葡醛酸苷系列化合物，并对其反相高效液相色谱保留行为及底物与其葡醛酸结合物保留行为相关性进行了研究，建立了相应的结构-色谱保留行为相关性方程及葡醛酸苷类代谢物保留行为的预测方法．将QSRR研究扩展到药物代谢物领域，对药物Ⅱ相葡醛酸化代谢产物的HPLC分析提供了帮助．

The quantitative relationship between the structure of solutes and their chro-matographic retention behavior has been studied for many years. This paper discussed main-ly the retention behavior of hydroxy compound glucuronides. The samples were incubated in vitro. In conclusion, the retention behavior of glucuronides can be predicted by two ways:(1) prediction of capacity factor (k') for hydroxy compounds and their glucuroIlides is based on chemi-physical constantsi (2) prediction of glucuronides capacity factor is based on the capacity factor of parent compound. The paper solved a knotty problem, the lack of glu-curonide reference by using biological synthesis method. It is very useful for the study on drug phase Ⅱ metabolism. Predicting retention behavior of metabolites based on the parent compounds is also a new idea for studying QSRR for drug metabolites.