Metabolite elucidation, synthesis, identification and characterization

The identification and characterization of the metabolites of small molecules derived from both in vitro (microsomes, hepatocytes) and in vivo (urine, plasma) samples is key in several stages of drug discovery & development, such as in the:

  • Optimization of metabolic clearance to identify the metabolic soft-spots
  • Selection of suitable animal species for toxicity studies
  • Identification of human-specific metabolites or those found at disproportionately high levels in humans compared to toxicity models
  • Determination of potentially active or toxic metabolites
  • Proposal of the drug metabolizing enzymes relevant to the drug



The biological samples are submitted to several HPLC-MS analysis (Agilent’s HPLC/QTOF 6540, Ultimate3000-LXQ), which allow the separation and accurate mass determination of the different metabolites and the identification of their fragmentations. Structures are proposed for the identified peaks, and they are synthesized by our Synthetic Chemists. The products obtained  are then compared with the real samples and the matching metabolites are fully characterized using both HPLC/MS and NMR and scaled up if needed for their further biological characterization.

Turnaround time: Variable times depending on the number and synthetic feasibility of the metabolites proposed