Novel Chemical Molecules Synthesis

Small molecule synthesis is a core aspect of drug discovery and medicinal chemistry, involving the design and chemical construction of low molecular weight compounds with specific biological, physical or chemical properties. These molecules play essential roles in research, acting as therapeutic agents, enzyme inhibitors, chemical probes, or molecular tools. The synthesis process typically includes route design, reaction optimization, purification, and structural characterization, requiring a deep understanding of organic chemistry principles. Customized small molecule synthesis enables researchers to access novel compounds that are not commercially available, accelerating the development of new diagnostics and treatments.

Daniel holds a Master’s degree in Organic Chemistry from the University of Missouri, Columbia. He has extensive experience in the design and synthesis of small organic molecules, with a strong foundation in reaction mechanism, retrosynthetic analysis, and route development. His training includes hands-on expertise in a wide range of synthetic methodologies, including heterocyclic chemistry, catalytical reactions, and functional group transformations. Daniel is also skilled in purification techniques such as flash chromatography, crystallization, and preparative HPLC. For structural and purity confirmation, he routinely uses NMR spectroscopy, mass spectrometry (MS), IR, and HPLC. His work has supported various stages of drug discovery and development, including drug impurity synthesis, SAR exploration, and chemical ligand design. With a strong understanding of both the theoretical and practical aspects of organic chemistry, Daniel brings valuable insight to interdisciplinary research teams focused on pharmaceutical innovation. With his help, our facility can offer a wide range of synthetic chemistry support services tailored to research needs, including custom synthesis of small molecules, design of probes for imaging and target identification, and GMP analytical support through discovery and development phases. Researchers can also benefit from formulation, quality control and characterization using advanced methodologies and techniques, and consultation for expert advice. The team assists with outsourcing management, helping coordinate external collaborations when needed.

Highlighted below are several projects Daniel has contributed to:

Tacrolimus is a potent immunosuppressant medication used to prevent organ rejection in transplant patients and to treat certain autoimmune skin conditions. As a calcineurin inhibitor, it works by suppressing the body’s immune response to help it accept a new organ or reduce inflammation.  Two unknown impurities (no literature report) were found, synthesized and fully characterized by HPLC, FTIR, LCMS, NMR and HDX studies.

Procainamide is a Class of antiarrhythmic medication used to treat certain types of irregular heart rhythm disorders. It belongs to a class of drugs called Class 1A antiarrhythmics. An undisclosed impurity was observed between the interaction of API and excipient during storage. A synthetic route was proposed and executed to produce more impurity product, which was further isolated and elucidated by NMR and MS studies.

With his extensive experience and insightful knowledge, our facility could also deliver synthesis services tailored to your needs on newly emerging areas, for example, PROTAC — a novel drug discovery technology that uses the body’s own protein degradation machinery to selectively eliminate disease-causing proteins, rather than just inhibiting them like traditional drugs (Mechanism of Action for PROTAC shown below).

This unique heterobifunctional molecule consists of two ligands connected by a linker: one binds to the protein of interest (POI), and the other binds to an E3 ubiquitin ligase. Upon binding, the PROTAC brings the POI into close proximity with the E3 ligase, promoting ubiquitination of the target protein. This polyubiquitinated protein is then recognized by the 26S proteasome and subsequently degraded. Unlike conventional inhibitors, PROTACs act catalytically, meaning one PROTAC molecule can induce the degradation of multiple target proteins, allowing for sustained target knockdown with lower doses.

Related Paper:

1. Improved targeting and safety of doxorubicin through a novel albumin binding prodrug approach. Researchers have created a new version of the chemotherapy drug doxorubicin, called IPBA-Dox, designed to reduce its harmful side effects while keeping its cancer-killing power. This new drug is a prodrug that binds to human serum albumin (HSA) in the bloodstream, helping it circulates longer and reach tumors more effectively. Importantly, IPBA-Dox is especially effective in cancer cells with high levels of a protein called Caveolin-1 (Cav-1), which helps these cells absorb albumin-bound drugs. In lab and animal tests, IPBA-Dox was both potent and much better tolerated than regular doxorubicin. This suggests that IPBA-Dox could be a safer and more targeted chemotherapy option for patients with Cav-1–positive tumors.
2. Combating Alcohol Adduct Impurity in Immunosuppressant Drug Product Manufacturing: A Scientific Investigation for Enhanced Process Control
3. Solid state compatibility study and characterization of a novel degradation product of tacrolimus in formulation