RHO-SIGMA-PI ANALYSIS . METHOD FOR CORRELATION OF BIOLOGICAL ACTIVITY + CHEMICAL STRUCTURE
RHO-SIGMA-PI ANALYSIS . METHOD FOR CORRELATION OF BIOLOGICAL ACTIVITY + CHEMICAL STRUCTURE
复制标题
DOI：
10.1021/ja01062a035
复制
发表时间：
1964-01-01
影响因子：
15
通讯作者：
FUJITA, T
中科院分区：
文献类型：
--
作者：
HANSCH, C;FUJITA, T
使用取代基常数，<；回归分析了取代基对苯甲酸对蚊子幼虫的生物活性、对革兰氏阳性和革兰氏阴性细菌的酚类、对家蝇的苯乙基磷酸酯类杀虫剂、对啮齿动物的甲状腺素衍生物、对豚鼠的甲状腺素衍生物、对老鼠的致癌化合物的影响。特别是，根据Hammett常数建立的取代基常数可用于评价生物活性高度依赖的分子的亲脂性，其定义为：=
Using the substituent constant,< r, and a substituent constant, tt, defined as= log—log P (Ph is the par-tition coefficient of a parent compound and that of a derivative), regression analyses have been made of the effect of substituents on the biological activity of benzoic acids on mosquito larvae, phenols on gram-positive and gram-negative bacteria, phenylethyl phosphate insecticides on houseflies, thyroxine derivatives on rodents, diethylaminoethyl benzoates on guinea pigs, and carcinogenic compounds on mice.Recently2 3 we have shown the advantage of using partition coefficients in connection with the Hammett equation to rationalize the substituent effect on the growth-promoting activity of the phenoxyacetic acids and the bactericidal action of Chloromycetin derivatives on various bacteria. In particular, it was found that a substituent constant,, patterned after the Hammett-constant was useful in evaluating the lipo-hydrophilic character of a molecule upon which biological activity is highly dependent, is defined as:=