3-吡唑烷酮类的结构与抗惊活性关系的研究

3-吡唑烷酮类的结构与抗惊活性关系的研究

全哲山, 雷小平, 李仁利

北京医科大学药化教研室, 北京 100083

收稿日期:1992-02-14 修回日期:1992-07-16 出版日期:1992-12-15 发布日期:1992-12-15

Study of the Relationship Between the Chemical Structure and the Anticonvulsant Activity of the 3-Pyrazolidinones

Zhe-Shan Quan, Xiao-Ping Lei, Ren-Li Li

Department of Medicinal Chemistry; Beijing Medical University, Beijing 100083

Received:1992-02-14 Revised:1992-07-16 Online:1992-12-15 Published:1992-12-15

摘要/Abstract

摘要： 对以前合成的l-取代和l, 5-二取代-3-吡唑烷酮类化合物应用Hansch方法研究结构与抗惊活性的定量构效关系。相关分析表明: 1, 5-二取代-3-吡唑烷酮类化合物的1-取代基为n-丙基而不是苄基, 1-位和5-位取代基的疏水性常数和∑Л等于4.5时最适宜具有最强的抗惊活性。在此相关分析的基础上, 合成了11个5-取代和1-正丁基-5-取代-3-吡唑烷酮类化合物。药理测定结果表明Hansch分析的预测结果是相当正确的。将此11个化合物包括在一起的 Hansch分析结果与最初得到的结果几乎一样。

关键词: 3-吡唑烷酮, 抗惊活性, QSAR

Abstract: The Hansch approach was used in the quantitative structure anticonvulsant activity studies of the previously synthesized 1-substituted-and 1.5-disubstituted-3-pyrazo-lidinones. Correlation analysis predicted that 1.5-disubstituted-3-pyrazoljdinones in which 1- substituent is n-propyl but not benzyl, with the total hydrophobic constant of 1-and 5-substituents (∑л) equals to 4.5 (optimum value) will have the most potent activity. On the basis of this analysis eleven 5-substituted and I-n-butyl-5-substituted-3-pyrazolidinones were synthesized. Pharmacological tests indicated that the prediction of the Hansch analysis of the 3-pyrazolidinones is correct. The Hansch analysis, by including these 11 compounds, gives an almost identical correlation with that previously obtained.

Key words: 3-Pyrazolidinones, Anticonvulsant activity, QSAR

Supporting:

全哲山, 雷小平, 李仁利. 3-吡唑烷酮类的结构与抗惊活性关系的研究[J]. .

Zhe-Shan Quan, Xiao-Ping Lei, Ren-Li Li. Study of the Relationship Between the Chemical Structure and the Anticonvulsant Activity of the 3-Pyrazolidinones[J]. .

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