title: Investigating a Relationship between the Mutagenicity of Arylboronic Acids and (11)B NMR Chemical Shifts.
abstract: The mutagenicity of arylboronic acids has recently become an important area of research because of their potential to be genotoxic impurities in active pharmaceutical ingredients. There is no known mechanism, so currently all structure-activity relationships have been derived using Ames test data. We present preliminary data supporting a hypothesis that the mutagenicity of arylboronic acids is related to the (11)B NMR chemical shift. This could indicate that the mutagenic activity of the arylboronic acids is related to the reactivity of the boron center.
authors.affiliation: †Lhasa Limited, Granary Wharf House, 2 Canal Wharf, Leeds, LS11 5PS, U.K.
authors.forename: Maria L
authors.initials: ML
authors.lastname: Pellizzaro
authors.affiliation: †Lhasa Limited, Granary Wharf House, 2 Canal Wharf, Leeds, LS11 5PS, U.K.
authors.forename: Elizabeth M
authors.initials: EM
authors.lastname: Covey-Crump
authors.affiliation: ‡School of Chemistry, University of Leeds, Woodhouse Lane, Leeds, LS2 9JT, U.K.
authors.forename: Julie
authors.initials: J
authors.lastname: Fisher
authors.affiliation: †Lhasa Limited, Granary Wharf House, 2 Canal Wharf, Leeds, LS11 5PS, U.K.
authors.forename: Anne-Laure D
authors.initials: AL
authors.lastname: Werner
authors.affiliation: †Lhasa Limited, Granary Wharf House, 2 Canal Wharf, Leeds, LS11 5PS, U.K.
authors.forename: Richard V
authors.initials: RV
authors.lastname: Williams
mesh_terms: D001895:Boron / Q000737:chemistry; D001897:Boronic Acids / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D009152:Mutagenicity Tests; D013329:Structure-Activity Relationship
chemical_list: D001897:Boronic Acids; C010686:benzeneboronic acid; D001895:Boron