Three-dimensional structure of anti-5,6-dimethylchrysene-1,2-dihydrodiol-3,4-epoxide: a diol epoxide with a bay region methyl group

• Published in: Carcinogenesis (New York) Vol. 20; no. 8; pp. 1549 - 1554
• Main Authors: Afshar, Carol E., Katz, Amy Kaufman, Carrell, H.L., Amin, Shantu, Desai, Dhimant, Glusker, Jenny P.
• Format: Journal Article
• Language: English
• Published: Oxford Oxford University Press 01.08.1999
• Subjects: 6-diMeC; 6-dimethylchrysene; BaP; Bay-Region, Polycyclic Aromatic Hydrocarbon; benzo[a]pyrene; Biological and medical sciences; Carcinogens - chemistry; Chrysenes - chemistry; General pharmacology; Medical sciences; Molecular Structure; PAH; Pharmacology. Drug treatments; Physicochemical properties. Structure-activity relationships; polycyclic aromatic hydrocarbon; X-Ray Diffraction; Bay region; Diol; Polycyclic aromatic compound; Carcinogen; Alkylating agent; Structure activity relation; Three dimensional structure; DNA; Methyl group; Epoxide; Chrysene derivatives; X ray diffractometry; Molecular adduct

The three-dimensional structure of a dihydrodiol epoxide of 5,6-dimethylchrysene was elucidated by X-ray diffraction techniques. The effects of the steric overcrowding by the 5-methyl group in the bay region of this compound are described. The carbon atom of the 5-methyl group is found to lie out of...