Modelling the relative metabolic occurrence of alkyl-nitrogen bond cleavage using structure-reactivity maps.
Xenobiotica
; 25(8): 825-46, 1995 Aug.
Article
in En
| MEDLINE
| ID: mdl-8779224
ABSTRACT
Over a broad range of tertiary N-methyl amines, whenever alkyl-nitrogen bond cleavage was observed, N-demethylation was also observed. Alkyl-nitrogen bond cleavage in rings, alkyl-nitrogen bond cleavage if the carbon of the N-dealkylation reaction-site is in a ring and the nitrogen atom of the reaction-site is not in a ring, and dedimethylamination are not likely to occur relative to N-demethylation. Structure-reactivity relationships for other N-dealkylations, such as N-debenzylation, N-dethiophenation, and N-dedimethylaminoethylation of tertiary amines were evident from a visual inspection of the structure-reactivity map. Structure-reactivity maps proved to be a useful tool for ascertaining structural environments influencing the relative occurrence of alkyl-nitrogen bond cleavage in tertiary N-methyl amines.
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Collection:
01-internacional
Database:
MEDLINE
Main subject:
Methylamines
/
Models, Chemical
Language:
En
Journal:
Xenobiotica
Year:
1995
Document type:
Article
Affiliation country:
Estados Unidos