Metabolite Identification (Met ID), Profiling & Characterization Services
Our Metabolite Characterization services enable our clients to determine the molecular weight, elemental composition, and proposed structures of a drug compound’s metabolites. We can also use client-provided reference standards to confirm the identity and structure of metabolites (Metabolite Identification/MetID) as applicable.
Understanding characteristics and structural assignment of metabolites in different preclinical species (Metabolite Profiling) can equip drug developers to identify human-specific metabolites or those found at disproportionately high levels in humans compared to toxicity models.
In vitro metabolite profiling and characterization studies can:
- Aid lead compound structure optimization (soft spots)
- Determine potentially active or toxic metabolites
- Aid design/data interpretation for animal toxicology studies
- Provide information on the drug metabolizing enzymes relevant to the drug
Our Approach to Metabolite Characterization
To address the Food and Drug Administration’s direction to “Identify the number and structures of metabolites produced by a drug and whether the metabolic pathways are parallel or sequential” (In Vitro Drug Interactions Studies— Cytochrome P450 Enzyme- and Transporter-Mediated Drug Interactions: Final Guidance for Industry, FDA 2020), we offer non-GLP metabolite characterization, metabolite profiling, and metabolite identification studies carefully designed to meet regulatory expectations for investigational new drug applications.
Our extensive selection of products offers clients many choices of cellular test systems and subcellular fractions for metabolite characterization. From a contracted Metabolite Characterization study with our team, results can tell you:
- How many metabolites detected in each species
- Proposed biotransformations that led to their formation
- If there are any human-specific metabolites
- If any metabolites were detected at disproportionately higher levers in human than other species
- UV peaks for parent and metabolites, as applicable
- Proposed metabolite structures and fragmentation assignments
Our compound-driven, high-resolution mass spectrometry metabolite identification services provide extensive critical information about the metabolism of your compound. We routinely provide analyte-specific method development services for a custom study tailored to meet your needs, but can also employ your existing in-house analytical parameters.
Our Approach to Metabolite Characterization
Using state-of-the-art instrumentation and software, our experienced analytical scientists can perform thorough metabolic profiling across multiple species with comprehensive metabolite structural elucidation. We incorporate rigorous checks and controls to ensure confidence in the data we generate.
Our Metabolite Characterization Capabilities
- Small molecule test articles
- Customized, structure-based study designs
- In vitro test systems (hepatocytes, S9, microsomes, recombinant enzymes, whole blood, plasma, customized in vitro test systems)
- In vivo test systems (whole blood, plasma, urine, bile, fecal homogenates)
- Radio-labeled (14C, 3H, 35S) and stable and unlabelled synthesis capabilities
- Data reviewed by experienced scientists
LC-MS & Other Instruments for Characterization of Your Drug’s Metabolites
- Waters Synapt™ G2 high-definition mass spectrometry system
- Ion mobility spectrometry (IMS) for enhanced separation
- Accurate mass for confident biotransformation assignment and structural elucidation of metabolites
- MSE Simultaneous acquisition of all precursor and product ion spectra in one injection for fast turnaround
- Waters Acquity UPLC™
- Waters MassLynx™ and MetaboLynx™ software to identify known and unexpected metabolites
- Xevo G2-XS Tof/QTof
- API 4000 QTRAP (triple quadrupole linear ion trap) LC-MS/MS
- Sensitivity for detection of low-level metabolites
- LC-MS/MS for confident structural elucidation
- Analyst® and Light Sight® software to identify known and unexpected metabolites
- UV, fluorescence and radiometric detection in conjunction with mass spectrometry
Related Service: Metabolite Production
Once metabolites have been identified through radio-labeling or metabolism studies, we can set you up to screen and optimize and produce metabolites directly from drug candidates through a service offered by our friends at HepatoChem.