1. Home
  2. Services
  3. Focused/Targeted Library
  4. Chelator Focused Library

Chelator Focused Library

A metal atom or ion interacts with a ligand containing two or even more than two coordination atoms to produce a complex with a ring structure, which is called a chelate. This ligand substance that can generate a chelate is called a chelating agent, also known as a complexing agent, chelating ligand, chelating group or mutidentate ligand. The ligand has two or more coordination atoms and forms a chelating ring with a central atom (or ion) at the same time. The ring-forming effect of the chelating agent makes the chelate more stable than a non-chelated ligand compound of similar composition and structure. Traditional chelation therapy is created based on four scientific strategies, including alteration of metal biodistribution, inhibition of disease-related specific metalloenzymes, enhancement of metal complex reactivity to promote cytotoxicity, and passivation of metal reactivity by site-activated chelation to prevent cytotoxicity.

BOC Sciences has established a unique chelator focused library to offer novel chelators based on a variety of metal-binding groups.

Outline of a hypothetical mechanism for the ironing-out effect produced by the rhodamine labelled 3,4-HPO chelators. Figure 1. Outline of a hypothetical mechanism for the ironing-out effect produced by the rhodamine labelled 3,4-HPO chelators. (Rangel, M.; et al. 2018)

Chelator Focused Library Design

  • BOC Sciences' chelator library has passed numerous substructure, similarity and physicochemical property filters and has been narrowed down according to an expanded Lipinski’s Rule of Five
  • The selected screening compounds contain at least one chelating moiety, and can generate libraries targeting important metalloproteins by inhibiting their activity
  • Selected chelator types exhibit desirable binding and affinity of metal ions to metalloproteins
  • Our chelator focused library can be used as an effective tool for designing, synthesizing and screening various lead-like chelators

Chelator Focused Library Characteristics

BOC Sciences’ chelator focused library includes nearly 57,000 therapeutically relevant compounds that are carefully selected from our proprietary collection of HTS compounds to meet the parameters listed in the table below.

Table1. The summary of the BOC Sciences Chelator Focused Library characteristics

ParameterValue
MW100-400
ClogP-0.3-5
TPSA0-180 Å2
Number of H Donors≤5
Number of H Acceptors≤10
Number of Rotatable Bonds≤10
logS>-7

Features of Chelator Focused Library

  • All PAIN and reactive compounds are excluded from selection by internal filter applications
  • Structurally diverse subset, with the option to favor hit discovery
  • Structural analogs available for SAR studies
  • All compounds are continually updated
  • Compound cherry-picking service is available

Scheme of a assumed mode of interaction and progress of the rhodamine labelled 3,4-HPO chelators, MRH7 and MRB7 (red) and MRH8 and MRB8 (blue) through the biological membranes. Figure 1. Scheme of a assumed mode of interaction and progress of the rhodamine labelled 3,4-HPO chelators, MRH7 and MRB7 (red) and MRH8 and MRB8 (blue) through the biological membranes. (Rangel, M.; et al. 2018)

What We Deliver

  • Delivered within 2 weeks in any customer-preferred format
  • 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 and HPLC
  • Analytical data is provided

BOC Sciences provides professional, rapid and high-quality services of Chelator Focused Library design at competitive prices for global customers. Personalized and customized services of Chelator Focused 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!

Reference

  1. Rangel, M.; et al. Tuning the Anti(myco)bacterial Activity of 3-Hydroxy-4-pyridinone Chelators through Fluorophores. Pharmaceuticals. 2018. 11(4): 110.
Our mission is to provide clients with a professional chemical library design platform. Empowered by high-quality services and effective research solutions, we are committed to helping customers achieve effective and successful research goals.

Online Inquiry

Verification code
Services Based on the Chemical Library Design Platform

Services Based on the Chemical Library Design Platform

BOC Sciences has rich experience in working with global customers in custom library synthesis of compounds and generating small to medium-sized libraries of target compounds. Our knowledge in generating a large number of target molecules in a remarkably shorter time enables quick biological screenings for affinities. With the target properties in mind, we deliver target molecules, by applying our extensive knowledge in drug discovery.

BACK TO TOP