Chemistry is an experimental science, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 622-26-4, Name is 2-(Piperidin-4-yl)ethanol, molecular formula is , belongs to piperidines compound. In a document, author is Jia, Fang, Computed Properties of C7H15NO.
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.
If you are hungry for even more, make sure to check my other article about 622-26-4, Computed Properties of C7H15NO.
Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem