Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Bioorganic & Medicinal Chemistry Letters called Amyloidogenic immunoglobulin light chain kinetic stabilizers comprising a simple urea linker module reveal a novel binding sub-site, Author is Yan, Nicholas L.; Nair, Reji; Chu, Alan; Wilson, Ian A.; Johnson, Kristen A.; Morgan, Gareth J.; Kelly, Jeffery W., which mentions a compound: 188637-75-4, SMILESS is NCC1=NC(Cl)=CC=C1, Molecular C6H7ClN2, Computed Properties of C6H7ClN2.
In Ig light chain (LC) amyloidosis, the misfolding, or misfolding and misassembly of LC a protein or fragments thereof resulting from aberrant endoproteolysis, causes organ damage to patients. A small mol. “”kinetic stabilizer”” drug could slow or stop these processes and improve prognosis. We previously identified coumarin-based kinetic stabilizers of LCs that can be divided into four components, including a “”linker module”” and “”distal substructure””. Our prior studies focused on characterizing carbamate, hydantoin, and spirocyclic urea linker modules, which bind in a solvent-exposed site at the VL-VL domain interface of the LC dimer. Here, we report structure-activity relationship data on 7-diethylamino coumarin-based kinetic stabilizers. This substructure occupies the previously characterized “”anchor cavity”” and the “”aromatic slit””. The potencies of amide and urea linker modules terminating in a variety of distal substructures attached at the 3-position of this coumarin ring were assessed. Surprisingly, crystallog. data on a 7-diethylamino coumarin-based kinetic stabilizer reveals that the urea linker module and distal substructure attached at the 3-position bind a solvent-exposed region of the full-length LC dimer distinct from previously characterized sites. Our results further elaborate the small-mol. binding surface of LCs that could be occupied by potent and selective LC kinetic stabilizers.
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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem