Study on CoMFA of 5-Arylhydantoins Resolution with Pirkle Type Chiral Stationary Phase Column

Acta Chimica Sinica ›› 2003, Vol. 61 ›› Issue (11): 1769-1774. Previous Articles Next Articles

Original Articles

5-芳基乙内酰脲类化合物在Pirkle型色谱柱上拆分的CoMFA研究

张兵;商志才;赵文娜;邹建卫;杨郭明;俞庆森

浙江大学化学系

发布日期:2003-11-15

Study on CoMFA of 5-Arylhydantoins Resolution with Pirkle Type Chiral Stationary Phase Column

Zhang Bing;Shang Zhicai;Zhao Wenna;Zou Jianwei;Yang Guoming;Yu Qingsen

Chemistry Department, Zhejiang University

Published:2003-11-15

Abstract

Comparative molecular field analysis (CoMFA) was used to perform a quantitative structure-retention relationship study on resolution of a series of fifty 5-arylhydantoins with the Pirkle type chiral stationary phase column. Satisfactory results were obtained after All Space Searching (ASS), with the leave-one out cross validation correlation coefficient of CoMFA q1 - 0.764 and conventional r2 = 0. 962. The model will be useful to speculate the combining mode between the chiral. stationary phase and the analogues as well as to quantitatively prognosticate the resolution of other 5-arylhydanoin analogues on Pirkle type chiral stationary phases.

Key words: CoMFA, arylhydantoins, QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP

CLC Number:

O658

Cite this article

Zhang Bing;Shang Zhicai;Zhao Wenna;Zou Jianwei;Yang Guoming;Yu Qingsen. Study on CoMFA of 5-Arylhydantoins Resolution with Pirkle Type Chiral Stationary Phase Column[J]. Acta Chimica Sinica, 2003, 61(11): 1769-1774.

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5-芳基乙内酰脲类化合物在Pirkle型色谱柱上拆分的CoMFA研究

Study on CoMFA of 5-Arylhydantoins Resolution with Pirkle Type Chiral Stationary Phase Column

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