高等学校化学学报

高等学校化学学报 ›› 1998, Vol. 19 ›› Issue (S1): 293.

• Organic Synthesis Chemistry • 上一篇    下一篇

N1位取代的喹诺酮类化合物分子设计与合成研究

王国平, 朱龙观,俞庆森   

  1. Department of Chemistry, Zhejiang University, Hangzhou 310027
  • 出版日期:1998-12-31 发布日期:1998-12-31

Studies On The Molecular Design and Synthesis OF N1-Substituted Fluoroquinolones

Wang Guoping, Zhu Longguan, Yu Qingsen   

  1. Department of Chemistry, Zhejiang University, Hangzhou 310027
  • Online:1998-12-31 Published:1998-12-31

PDF (PC)

摘要： 在抗感染化疗药物研究领域中,喹诺酮类抗菌药由于有许多优良特性,近年来得到迅速发展。喹诺酮类的基本骨架如图1。而1位取代基的演变实际是喹诺酮类化合活性改进的写照。N1位早期研究表明以乙基及与其体积相似的乙烯基为最佳,大于或小于乙烯基均使活性降低。本文通过对15个N1位取代的该类化合物的抗菌活性进行定量构效关系研究,得到4个QSAR关系式,并对所设计的新化合物进行活性预测、合成、抗菌活性测定。结果表明,新化合物具有良好活性,且实验值与预测值基本相符。

Abstract: Fifteen N1-Substituted fluoroquinolones were optimized by MMPMI. Employing the indexes of molecular connectivity and quantum chemistry. Four equations of QSAR were obtained through stepwise regress. According to the QSAR equations, the antibacterial activities were predicted for four N1-Subsituted fluoroquinolones, which were unreported till now. The four compounds were synthesized and characterized by IR, UV,1H-NMR and elementary analysis. The determined results show good antibacterial activixinties against G- and G+.

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