Advanced search
Publication Cover
Xenobiotica
the fate of foreign compounds in biological systems
Volume 32, 2002 - Issue 4
Submit an article Journal homepage
59
Views
13
CrossRef citations to date
0
Altmetric
Research Article

Structure-metabolism relationships of substituted anilines: prediction of N-acetylation and N-oxanilic acid formation using computational chemistry

G. B. Scarfe Department of Drug Metabolism and Pharmacokinetics, Servier Research and Development Ltd, Fulmer Hall, Windmill Road, Fulmer, Slough, SL3 6HH, UK
,
I. D. Wilson Department of Drug Metabolism and Pharmacokinetics, AstraZeneca Pharmaceuticals, Mereside, Alderley Park, Macclesfield, SK10 4TG, UK
,
M. A. Warne Biological Chemistry, Biomedical Sciences Division, Faculty of Medicine, Imperial College of Science, Technology and Medicine, Sir Alexander Fleming Building, South Kensington, London SW7 2AZ, UK
,
E. Holmes Department of Drug Metabolism and Pharmacokinetics, Servier Research and Development Ltd, Fulmer Hall, Windmill Road, Fulmer, Slough, SL3 6HH, UK
,
J. K. Nicholson Department of Drug Metabolism and Pharmacokinetics, AstraZeneca Pharmaceuticals, Mereside, Alderley Park, Macclesfield, SK10 4TG, UK
&
J. C. Lindon Biological Chemistry, Biomedical Sciences Division, Faculty of Medicine, Imperial College of Science, Technology and Medicine, Sir Alexander Fleming Building, South Kensington, London SW7 2AZ, UK
Pages 267-277 | Published online: 22 Sep 2008

Citations (13)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (6)

Catherine Duckett, Michael McCullagh, Christopher Smith & Ian D Wilson. (2015) The metabolism of 4-bromoaniline in the bile-cannulated rat: application of ICPMS (79/81Br), HPLC-ICPMS & HPLC-oaTOFMS. Xenobiotica 45:8, pages 672-680.
Read now
Toby J. Athersuch, Ian D. Wilson, Hector C. Keun & John C. Lindon. (2013) Development of quantitative structure-metabolism (QSMR) relationships for substituted anilines based on computational chemistry. Xenobiotica 43:9, pages 792-802.
Read now
T. J. Athersuch, J. Castro-Perez, C. Rodgers, J. K. Nicholson & I. D. Wilson. (2010) UPLC-MS, HPLC-radiometric, and NMR-spectroscopic studies on the metabolic fate of 3-fluoro-[U-14C]-aniline in the bile-cannulated rat. Xenobiotica 40:7, pages 510-523.
Read now
T. J. Athersuch, C. J. Duckett, J. Castro-Perez, C. Rodgers, J. K. Nicholson & I. D. Wilson. (2007) Metabolism of [14C]-5-chloro-1,3-benzodioxol-4-amine in male Wistar-derived rats following intraperitoneal administration. Xenobiotica 37:1, pages 44-58.
Read now
C. J. Duckett, J. C. Lindon, H. Walker, F. Abou-Shakra, I. D. Wilson & J. K. Nicholson. (2006) Metabolism of 3-chloro-4-fluoroaniline in rat using [14C]-radiolabelling, 19F-NMR spectroscopy, HPLC-MS/MS, HPLC-ICPMS and HPLC-NMR. Xenobiotica 36:1, pages 59-77.
Read now
H. Major, J. Castro-Perez, J. K. Nicholson & I. D. Wilson. (2003) Detection of mono- and di-hexoses as metabolites of 4-bromoaniline using HPLC-TOF-MS/MS. Xenobiotica 33:8, pages 855-869.
Read now

Articles from other publishers (7)

James Kinross, Jia V. Li, Laura J. Muirhead & Jeremy Nicholson. (2014) Nutritional modulation of the metabonome. Current Opinion in Gastroenterology 30:2, pages 196-207.
Crossref
Toby J. Athersuch, Jeremy K. Nicholson & Ian D. Wilson. (2007) Isotopic enrichment enhancement in metabonomic analysis of UPLC–MS data sets. Journal of Labelled Compounds and Radiopharmaceuticals 50:5-6, pages 303-307.
Crossref
Berit Packert Jensen, Christopher J. Smith, Christopher J. Bailey, Colin Rodgers, Ian D. Wilson & Jeremy K. Nicholson. (2005) Investigation of the metabolic fate of 2-, 3- and 4-bromobenzoic acids in bile-duct-cannulated rats by inductively coupled plasma mass spectrometry and high-performance liquid chromatography/inductively coupled plasma mass spectrometry/electrospray mass spectrometry. Rapid Communications in Mass Spectrometry 19:4, pages 519-524.
Crossref
Martin Payne. 2004. Predicting Chemical Toxicity and Fate. Predicting Chemical Toxicity and Fate.
Jeremy K. Nicholson & Ian D. Wilson. (2003) Understanding 'Global' Systems Biology: Metabonomics and the Continuum of Metabolism. Nature Reviews Drug Discovery 2:8, pages 668-676.
Crossref
C.A Blackledge, J.K Nicholson & I.D Wilson. (2003) An NMR study of the metabolic fate of 2-, 3- and 4-fluorobenzyl alcohols in the rat. Journal of Pharmaceutical and Biomedical Analysis 32:1, pages 133-140.
Crossref
Hilary Major, Jose Castro-Perez, Jeremy K. Nicholson & Ian D. Wilson. (2003) Characterisation of putative pentose-containing conjugates as minor metabolites of 4-bromoaniline present in the urine of rats following intraperitoneal administration. Rapid Communications in Mass Spectrometry 17:1, pages 76-80.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.