Asinex Macrocycles Library
ASINEX has elaborated a library of diverse macrocycles using an effective tool box of synthetic methods. The resulting scaffolds are novel, tremendously diverse, medchem-relevant, macrocyclic frameworks.
Macrocyles tend to be larger than traditional screening molecules which make them perfect discovery tools for targets with shallow or extended binding sites. At the same time, their unique character based on restricted flexibility and ability to form intra-molecular hydrogen bonds allows for design approaches effectively optimizing properties such asaqueous solubility and membrane permeability. Many of these macrocycles have been tested for aqueous and DMSO solubility with cut-offs applied at 10 mM in DMSO and 50 µM in PBS (pH 7.4) followed by PAMPA permeability assay.
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Product Details
• Unparalleled diversity which covers both peptide-like and non-peptidicchemotypes.
• Comprised of 200+ scaffolds, making this library the largest commercial screening collection of scaffold-based macrocycles.
• A perfect discovery tools for targets with shallow or extended binding sites.
• More than 4000 of macrocycles have been tested for aqueous solubility and PAMPA permeability. This valuable dataset was used to build up an ML-based computational model to predict the permeability of novel macrocycles based on their 2D and 3D descriptors.
• All compounds can be readily followed with analogues either from stock or from new syntheses.
• Databases and compounds are provided by Asinex.