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Publications
  • Publisher:
    ACS Publications
  • Publication Date:
    May 2015
  • Reference:
    Chem. Res. Toxicol.
  • DOI:
    10.1021/acs.chemrestox.5b00078
  • PMID:
  • Publication Type:
    Paper
  • Related Products:
  • Scientific Area:
  • Endpoint:
    Mutagenicity
  • Industry Type:
  • Related event:

Relationship between the mutagenicity of arylboronic acids and 11B NMR chemical shifts

Covey-Crump E; Fisher J; Pellizzaro ML; Werner AL; Williams RV;

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 have shown that the mutagenicity of arylboronic acids is related to the 11B NMR chemical shift. This could indicate that the activity of the arylboronic acids is related to the reactivity of the boron centre.

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