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为了寻找对抗有机磷酸酯中毒的有效药物,我们合成了一类双季铵盐化合物,结构如下:当3位R为取代酰基时,化合物对抗毒剂中毒有效,其中一些化合物预防小鼠有机磷酸酯中毒的抗毒效价明显超过了文献报道的HI-6,HGG-42的水平。为了探讨其分子轨道指数与抗毒效价间的关系,对23个化合物进行分子轨道指数计算,找出活性部位及影响抗毒作用的因素,并进一步合成二个新化合物验证了这种构效关系,为今后寻找抗毒药物提供参考。
In order to find an effective drug against organophosphate poisoning, we have synthesized a class of diquaternary ammonium compounds with the following structures: Compounds are effective against antitoxic agents when the 3-position R is substituted acyl, some of which compounds prevent organophosphate poisoning in mice The antitoxic potency significantly exceeded the reported levels of HI-6 and HGG-42. In order to explore the relationship between the molecular orbital index and antitoxic potency, the molecular orbital index of 23 compounds was calculated to find the active site and the factors that affect the antitoxic effect. Two new compounds were further synthesized to verify the structure-activity Relationship, for the future looking for anti-drug to provide a reference.