Boronic Acid Fragment Library

Boronic acid, organobornates and other related compounds have recently become more and more popular in medicinal chemistry. Organoboron derivatives are commonly used reagents for C-C bond formation through classical palladium-mediated transformation or through other newer coupling methods. In addition, boronic acid is also an attractive synthetic intermediate and has been proven to be effective as inhibitors of various enzymes. In general, fragments usually have low affinity for their targets and require sensitive biophysical methods (such as NMR) to detect binding. Affinity can be increased by introducing a covalent bond between the fragment and the protein: Boric acid can form a reversible covalent bond with the side chain of serine or threonine in the protein, prior to the highly reactive active site residues found in hydrolases.

Figure 1. Immobilized boronic acid for Suzuki–Miyaura cross-coupling reaction on solid-phase synthesis. (Martinez-Amezaga, M.; et al. 2017)

Boric Acid and its Derivatives

Our Boronic Acid Fragment Library is consist of boronic acid fragments containing aliphatic, aromatic, and small ring (primitive, fluorine-containing, bifunctional)

New Organoboron Derivatives

We use the Suzuki-Miyaura C-C coupling reaction methods to synthesize the organoboron derivatives in our well-established aggregator platforms

Organotrifluoroborates and MIDA boronates

Since boronic acid has limited self-stability in some cases, several synthetic equivalents can be used. To meet this trend, we are capable of building a subset of MIDA boronates and trifluoroborate for your research

Boronic Acid Fragment Library Characteristics

At BOC Sciences, our Boronic Acid Fragments Library is consist of more than 500 fragment molecules, which is a reliable source of high-quality fragments. We cooperate with leading experts in the field of FBDD to design and supply top-level fragment libraries, aiming to meet different requirement of each client.

Table1. The summary of the BOC Sciences Boronic Acid Fragment Library characteristics

Features of Boronic Acid Fragment Library

• The following compounds are carefully removed from the Boronic Acid Fragment Library:

Compounds containing any atom different to O, N, C, H, Br, I, Cl, F, S, or P

Compounds do not have aliphatic or aromatic ring

Compounds containing more than 4 halogen atoms

Compounds containing reactive functional groups bearing the risk of covalent binding to the target protein

Compounds containing functionalities that can cause undesirable effects such as: Cancerogenic, Toxicity, ADME problems, False positives

• We create a Boronic Acid Fragment Library for FBDD which complies with well-known Rule of Three
• Multiple filtering criteria (physical and chemical filters) are applied to BOC Sciences General Fragment Library to generate a high quality Boronic Acid Fragment Library
• The undesirable function is eliminated using PAINS and our in-house developed reactivity filters
• A series of organoboron derivatives have been selected to provide clean reactions and high-yield of the library construction
• All compounds with side functional groups that interfere under most of the reaction conditions have been successfully removed from our library
• Cherry-picking is available

What We Deliver

• Delivered within 2 weeks and is available for prompt delivery in various formats
• Powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates
• All compounds have a minimum purity of 90% assessed by ¹H NMR
• Spectral data is available

BOC Sciences provides professional, rapid and high-quality services of Boronic Acid Fragment Library design at competitive prices for global customers. Personalized and customized services of Boronic Acid Fragment Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!