Design,Synthesis and Biological Activity of Novel Hebicides Targeted ALS(Ⅵ)——The Electronic Structure of Herbicidal Pyrimidinyl(thio)ether Compounds and the Molecular Design of Novel Herbicides

Chem. J. Chinese Universities ›› 1998, Vol. 19 ›› Issue (2): 222.

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Design,Synthesis and Biological Activity of Novel Hebicides Targeted ALS(Ⅵ)——The Electronic Structure of Herbicidal Pyrimidinyl(thio)ether Compounds and the Molecular Design of Novel Herbicides

YANG Guang-Fu, LIU Hua-Yin, LU Rong-Jian, YANG Hua-Zheng

Institute of Elemento organic Chemistry, National Key Laboratory of Elemento organic Chemistry, Nankai University, Tianjin, 300071

Received:1997-01-13 Online:1998-02-24 Published:1998-02-24

Abstract

Abstract: Pyrimidinyl(thio)ether compounds are a kind of novel class of ALSinhibitors. In view of quantum pharmacology, their electronic structure was firstly investigated by means of quantum chemical calculations. The results revealed that there is a large electronegative region around the pyrimidinyl moiety in the highly active molecule. The herbicidal activity is related to the potency of electric charge translocation of the heterocyclic regions. On the basis of the above results, a novel kind of herbicides was designed and synthesized and was found to exhibit a good herbicidal activity with pI_C50 over 7.

Key words: Pyrimidine(thio)ether compound, ALS inhibitor, Structure-activity relationship, Quantum pharmacology, Molecular design

CLC Number:

O641.3

TrendMD:

YANG Guang-Fu, LIU Hua-Yin, LU Rong-Jian, YANG Hua-Zheng. Design,Synthesis and Biological Activity of Novel Hebicides Targeted ALS(Ⅵ)——The Electronic Structure of Herbicidal Pyrimidinyl(thio)ether Compounds and the Molecular Design of Novel Herbicides[J]. Chem. J. Chinese Universities, 1998, 19(2): 222.

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Design,Synthesis and Biological Activity of Novel Hebicides Targeted ALS(Ⅵ)——The Electronic Structure of Herbicidal Pyrimidinyl(thio)ether Compounds and the Molecular Design of Novel Herbicides

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