Abstract
The relative potencies of a series of substituted anilines as acetyl acceptors in the enzymatic N‐acetylation reaction have been correlated using physicochemical substituent constants (π, σ−), molecular connectivity indices (1χ, 1χv), and newly formulated information–theoretic topological indices (IC, SIC). Results indicate a predominant role of the topological steric parameters in determining the rates of the N‐acetyltransferase reaction.
Original language | English (US) |
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Pages (from-to) | 934-937 |
Number of pages | 4 |
Journal | Journal of Pharmaceutical Sciences |
Volume | 72 |
Issue number | 8 |
DOIs | |
State | Published - Aug 1983 |
Bibliographical note
Funding Information:This work was supported in part by Grant GM22357 and Biomedical Research Support Grant RR 5606 from the National Institutes of Health.
Keywords
- N‐Acetylation reaction—of substituted anilines, enzymatic acetyltransferase, rate determination using information–theoretic topological indices
- Topological indices—information–theoretic, rate determination of the N‐acetylation reaction, comparison with physicochemical constants and molecular connectivity indices, substituted anilines
- p‐Nitroaniline—determination of the N‐acetylation reaction, topological indices