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Isotopic Labeling Chemistry


What is Isotope Labeling Chemistry?

Isotope labeling chemistry is a technique used in chemical analysis and biochemical research to study the behavior and metabolism of specific molecules. By replacing specific atoms or groups of atoms in a molecule with isotopes, scientists can track the fate and transformation of that molecule in systems such as living organisms or chemical reactions. Isotope labeling chemistry is a powerful tool for understanding the kinetics, mechanisms and pathways of biological and chemical processes and for developing new drugs and diagnostic tools.

It is worth mentioning that the development of computational methods and strategies in recent years has also greatly accelerated the research in the field of isotope labeling chemistry. A variety of innovative computational tools and methods have been introduced into isotope-labeled chemistry research to efficiently track isotopes, analyze isotope distributions, and even predict and discover unknown molecular structures.

Computational Tool for Detection of Stable Isotope Labeling in Untargeted MetabolomicsComputational Tool for Detection of Stable Isotope Labeling in Untargeted Metabolomics [1]

What We Do in Isotope Labeling Chemistry

Alfa Chemistry has a deep understanding of the important role of isotope labeling chemistry in various fields, especially for drug discovery and development. Harnessing the power of computational chemistry and automated synthesis platforms, our chemists are confident in providing you with optimal isotopic labeling solutions.

  • Prediction And Design of Isotope-Labeled Compounds

Combined with appropriate computational methods, we can support you in gaining insight into reaction mechanisms, predicting isotope effects, designing labeling reagents, optimizing labeling conditions, and more.

  • Prediction of isotope effect: If an atom in a reactant is replaced by its isotope, it will show different chemical reactivity, which is called isotope effect. The kinetic isotope effect (KIE) model can be used to quantitatively predict the KIE value of various chemical reactions. This can be further applied to the preparation of isotope reagents, analysis of chemical reaction mechanism and control of chemical reaction products, etc.
  • Design of isotope-labeled compounds: By calculating the stability, reactivity, and selectivity of chemical predictions, it is possible to design isotope-labeled compounds more efficiently.
  • Optimization of isotope labeling reaction: Screening and optimization of reaction conditions through computational chemistry, predicting the yield of labeled products to obtain the best synthetic route.
  • Automated Synthesis of Isotopically Labeled Compounds

Computational Tool for Detection of Stable Isotope Labeling in Untargeted Metabolomics

Relying on the automated synthesis platform, we can quickly and flexibly respond to your increasingly personalized and complex customization needs for isotope-labeled compounds, including customized synthesis of stable isotope-labeled compounds, such as 2H, 13C, 15N and 18O-labeled compounds, etc. In addition, we have a large inventory of starting materials and intermediates and an extensive library of synthetic routes for the fastest delivery of your personalized stable isotope-labeled compounds.

Choose Alfa Chemistry

At Alfa Chemistry, we use advanced automation tools and unrivaled expertise to deliver isotopically labeled chemistry projects quickly and efficiently. Experienced synthetic chemists and automated synthesis workstations running 7*24 hours provide a strong guarantee for our high-quality, standardized, and efficient delivery of projects. To get started with our services, or to discuss our capabilities with a member of our expert team, contact us today.


  • Jordi Capellades, et al. Anal. Chem., 2016, 88, 1, 621-628.
  • Hiroshi Tsugawa, et al. Nature Methods, 2019, 16, 295-298.

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