电荷转移常数。一种用于构效关系的新取代基常数。
The charge-transfer constant. A new substituent constant for structure-activity relationships.
作者信息
Hetnarski B, O'Brien R D
出版信息
J Med Chem. 1975 Jan;18(1):29-33. doi: 10.1021/jm00235a007.
PMID:1109571
Abstract
A new, versatile constant accounting for the pi-complex formation ability of aromatic systems is proposed. The constant is derived from charge-transfer complex data of aromatic species (charge-transfer constant, CT). The applicability of CT in structure-reactivity relations is demonstrated. It is shown that the affinity of various inhibitors (32) and acetylcholinesterase is a function of CT and pi (Hansch hydrophobicity constant).
摘要
提出了一种新的、通用的常数，该常数用于说明芳香体系的π-络合物形成能力。该常数源自芳香族物质的电荷转移络合物数据（电荷转移常数，CT）。证明了CT在结构-反应性关系中的适用性。结果表明，各种抑制剂（32种）与乙酰胆碱酯酶的亲和力是CT和π（汉施疏水性常数）的函数。
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