Synthesis of [¹⁵ N]-cholamine bromide hydrobromide

Area of Science:

• Metabolomics and Isotope Labeling
• Synthetic Chemistry
• Analytical Chemistry

Background:

• Isotope tags are crucial tools in metabolomics for tracing metabolic pathways and quantifying metabolites.
• [15N]-Cholamine offers unique advantages due to its NMR-active isotope and permanent charge, enhancing MS sensitivity.
• Existing synthesis methods for [15N]-cholamine may not be scalable or cost-effective for widespread research use.

Purpose of the Study:

• To develop and present a scalable synthesis of [15N]-cholamine.
• To provide researchers with a reliable method for producing this important metabolomics tool.
• To facilitate enhanced sensitivity in NMR and MS-based metabolomics studies.

Main Methods:

• Detailed synthetic route for [15N]-cholamine production.
• Optimization of reaction conditions for scalability.
• Characterization of the synthesized [15N]-cholamine using relevant analytical techniques.

Main Results:

• Successful development of a scalable synthesis protocol for [15N]-cholamine.
• Demonstration of the compound's suitability as an isotope tag with both NMR and MS properties.
• Quantification of yield and purity achievable with the presented method.

Conclusions:

• The presented scalable synthesis provides a practical route to [15N]-cholamine.
• This advancement supports broader application of [15N]-cholamine in metabolomics research.
• Enhanced accessibility of [15N]-cholamine will improve sensitivity and scope in metabolic analyses.