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Metabolite Profiling and Identification

It is important to understand the routes of metabolism for compounds in drug discovery in order to design more metabolically stable drug candidates and to be aware of any potentially toxic metabolites that could be formed.

At Sygnature Discovery, we offer metabolite profiling for both in vitro and in vivo samples with fast turnaround so that key information on the stability and metabolic hot spots can be used to impact design and compound selection in discovery projects.

Analysis is carried out on a Waters Xevo-G2-XS-QTOF mass spectrometer with high-resolution accurate mass MS and MS-MS data, enabling structural assignments to be made with confidence.

Guidelines set out by the FDA highlight the need for adequate metabolite profiling in the early stages of a candidate drug’s lifecycle:

Human in vivo metabolism studies usually have been performed relatively later in drug development, but we strongly recommend in vivo metabolic evaluation in humans be performed as early as feasible – FDA Guidance for Industry: Safety Testing of Drug Metabolites (February 2008)


Metabolite Analysis Services

In Vitro Incubations and Metabolic Profiling

We offer In vitro incubations in hepatocytes and microsomes for mouse, rat, dog, monkey and human species. Other species are likely available on request.

Samples are incubated at a concentration of 10mM and typically analysed at the 60 minute time point. Comparison is made with control samples of parent compound in buffer and cells with no compound.

We require a 50 µl of a 10mM sample in DMSO, or 1mg of solid.


In Vivo metabolite Profiling

In vivo metabolic profiling and identification can be carried out on plasma, urine, blood or bile samples.

The analysis of biological samples from pre-clinical species can be crucial at a later stage in the drug discovery process when a drug candidate has been identified, to give critical information about metabolism and elimination of a compound.

Data Reporting

We can offer different levels of analysis and reporting depending on your requirements. For example:

  • Analysis of metabolites ≥ 1% of the total compound-related material (by MS or UV response). The report includes a table of corresponding ions with retention times, detected levels and proposed structures. Extracted ion chromatograms, full scan spectra and product ion spectra are also reported for these metabolites. Metabolites <1% are listed with observed ions and retention times.
  • Full analysis of all detected metabolites. The report includes a table of all corresponding ions with their retention times, detected levels and proposed structures, as well as extracted ion chromatograms, full scan spectra and product ion spectra.

Get in Touch

For more details on how we can provide innovative support to your project please use this contact form.

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