Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.64359-81-5, Name is 4,5-Dichloro-2-octylisothiazol-3(2H)-one, SMILES is O=C1N(CCCCCCCC)SC(Cl)=C1Cl, belongs to thiazoles compound. In a document, author is Jia, Fang, introduce the new discover, COA of Formula: C11H17Cl2NOS.
Structure-based linker exploration: Discovery of 1-ethyl-1H-indole analogs as novel ATX inhibitors
Aiming to develop novel ATX inhibitors, an indole-3-carboxylic acid lead Indole-1 was identified through high-throughput screening (HTS) efforts. The Indole-1 analogs 1-7 was firstly prepared which exerted mild activity comparable to Indole-1 (740 nM) in ATX enzyme assay. Further structural modification to identify type IV ATX inhibitors was proceeded through derivatization of the indole-3-carboxylic acid group. Resultantly, compounds 8-17 containing acyl hydrazone linker displayed poor activity (over 3.49 mu M). Alternatively, replacing the acylhydrazone linker with urea counterpart by the amide bond reversal principle, the acquired compounds 18-22 achieved obvious improvements with submicromolar activities. Furthermore, with the aim to reducing cLogP, the thiazole ring of 18-22 was altered to the benzamide (23-32) with the urea linker unchanged. Remarkably, the benzamide derivative 24 with 4-hydroxy piperidine fragment was identified which exhibited prominent activity with IC50 value of 2.3 nM. Especially, dedicated molecular docking study was throughout the modification process which qualified 24 as optimal entity in accordance with the ATX inhibitory results.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 64359-81-5 is helpful to your research. COA of Formula: C11H17Cl2NOS.
Reference:
Thiazole | C3H3NS – PubChem,
,Thiazole | chemical compound | Britannica