An ab initio study of model triazene-based anticancer agents-Reference-Cited by-同舟云学术

An ab initio study of model triazene-based anticancer agents

Published:2010-08 Issue:8 Volume:88 Page:709-715
ISSN:0008-4042
Container-title:Canadian Journal of Chemistry
language:en
Short-container-title:Can. J. Chem.

Author:

Doucet Katherine G.¹,Glister Julie F.¹,Pye Cory C.¹

Affiliation:

1. Department of Chemistry, Saint Mary’s University, Halifax, NS B3H 3C3, Canada.

Abstract

A computational study of a series of model triazene-based anticancer agents based on methyl- and amidyl-substituted 5-(1-triazenyl)imidazoles has been carried out, including the drugs Dacarbazine, Temozolomide, and Mitozolomide. A number of different conformers are analyzed. The transition states for the gas-phase and water-mediated triazene tautomerization reaction are found and the barriers are determined.

Publisher

Canadian Science Publishing

Subject

Organic Chemistry,General Chemistry,Catalysis

Link

http://www.nrcresearchpress.com/doi/pdf/10.1139/V10-023

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