Lead optimalization and characterization

What we offer

• Custom synthesis of target compounds with multiparametric optimization, ensuring ≥98+% purity; optional sample integrity and complete structure elucidation.
• On request, chemical optimization to support SAR studies in collaboration with pharmacists and in silico modeling group.
• Physicochemical characterization of drug candidates (pKa, logP/D, kinetic/thermodynamic solubility in SGF, PBS, FeSSIF, FaSSIF; chemical stability in DMSO and PBS pH 7.4).
• In vitro pharmacokinetics and early ADME assessment, including non-cell-based permeability (PAMPA-GI, BBB, cornea), kinetic solubility, dissolution–permeation, plasma protein binding (HTS RED), and metabolic stability assays (multi-species liver microsomes; MetStab%, t½, Clint).

Why work with us

We provide solid-phase immobilization of small molecules and supramolecular polymer synthesis in a specialized facility. Biomimetic platforms using flow chemistry and electrochemical oxidation enable access to novel chemical space, continuous production, and process optimization. Structure elucidation and sample integrity are confirmed by advanced analytical methods, followed by comprehensive pharmacokinetic characterization.

equipmentS

• Varian Mercury Plus 400 MHz NMR spectrometer 
• Waters HR-MS (ESI- and LA-REIMS – qTOF instrument) QDa LC-MS/MS, methods for quantitative and qualitative investigation for early-stage metabolism studies 
• Shimadzu LCMS-2020 
• Shimadzu MS
• Shimadzu IR spectrometer (single ATR, horizonal ATR, transmittance) 
• Jasco 4600 FT-IR, ATR-FT-IR, optical polarimeter 
• TECAN Infinite M200 plate reader 
• μFlux and Gut-Box™ (Pion Inc.) 
• Shimadzu AA-7000 equipped with graphite furnace atomizer and auto-sampler

References

• Our collaborating partners: Merck, InVitrogen, Egis 
• https://doi.org/10.1007/s10895-021-02851-9 
• https://doi.org/10.1038/s41598-023-46317-3