pKa-Tuned Amines

Tailored towards your needs!

Amines are among the most common functional groups found in various medicinal products and play a significant role in numerous biological systems. They are crucial in the development and effectiveness of medicines, ensuring their activity, stability, and bioavailability. Therefore, the knowledge of the drug's pKa, a key physicochemical property, should be considered one of the primary steps in the drug discovery process, making it highly relevant in medicinal chemistry.

pKa-Tuned amines - are amines that have been specifically designed or modified to adjust their pKa values.

Amines with tuned pKa values are important in pharmaceutical chemistry and in the design of medicinal products for several reasons:

  • Solubility control: The pKa values of amines can affect their solubility in water and other solvents. This is important to ensure the effective distribution and transportation of pharmaceutical preparations in biological environments;
  • Bioavailability: Tuned pKa can help ensure faster absorption of medicinal preparations into the body, as they can more efficiently penetrate biological barriers and membranes;
  • Activity control: Tuning the pKa can affect the activity of medicinal substances, providing better compatibility with biological targets or reducing the potential for side effects. This allows for a more precise and balanced influence on biological processes;
  • Structure optimization: Adjusting the pKa allows chemists to optimize the structure of drug molecules to achieve desired physical and physicochemical properties.

Thus, basicity influences many characteristics of pharmaceuticals, including ADME.

Enamine offers:

Collections of various amines tuned across a wide pKa range, specifically from <2.5 to >12 (mostly 5-11). These pKa-tuned amine sets were developed by our highly qualified specialists to evenly distribute them across the pKa scale as much as possible. Our clients can find amines with almost any pKa value to address specific challenges in drug discovery.

Our catalog includes 12 sets -3 sets per each chemical compound class - azetidine, pyrrolidine, piperidine, and morpholine-modified amino moieties. The first set – Basic set - consists of 7 amines that are most widely and commonly used in medicinal chemistry. The second one – Advanced set- includes 7 amines that are the most modern, rare, and unique compounds that will expand drug discovery processes. The third set – Pro set - is the extended set, which consists of 15 pКa-tuned amines that can satisfy any needs in MedChem research.

All compounds from these collections undergo extensive quality control by NMR and LC-MS, and purity is guaranteed to be over 95% and are available in our stock. All pKa values have been measured experimentally by our analytical department through potentiometric titration.

Our specialists continue to work on further expansion and diversification of these sets of pKa-tuned amines, adding new classes of amino compounds, to advance and accelerate the efforts in drug discovery.

Examples of pKa-Tuned Amines with the values of their pKa:














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Selected publications

  1. The pKa Distribution of Drugs: Application to Drug Discovery.
    Manallack D. T. Perspectives in Medicinal Chemistry 2007, 1. DOI: 10.1177/1177391X0700100003
  2. The significance of acid/base properties in drug discovery.
    Manallack D. T., Prankerd R. J., Yuriev E., Oprea T. I., Chalmers D. K. Chem. Soc. Rev. 2013, 42, 2, 485–496. DOI: 10.1039/C2CS35348B
  3. Best of both worlds: An expansion of the state of the art pKa model with data from three industrial partners.
    Fraczkiewicz R., Quoc Nguyen H., Wu N., Kausch-Busies N., Grimbs S., Sommer K., ter Laak A., Günther J., Wagner B., Reutlinger M. Molecular Informatics 2024, 43:e202400088. DOI: 10.1002/minf.202400088?af=R


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