Piperazine is an organic compound that consists of a six-membered ring containing two nitrogen atoms at opposite positions in the ring. 103-76-4, formula is C6H14N2O, Name is N-(2-Hydroxyethyl)piperazine. Piperazine exists as small alkaline deliquescent crystals with a saline taste. Computed Properties of 103-76-4.
Kaiser, Thomas M.;Dentmon, Zackery W.;Dalloul, Christopher E.;Sharma, Savita K.;Liotta, Dennis C. research published 《 Accelerated Discovery of Novel Ponatinib Analogs with Improved Properties for the Treatment of Parkinson’s Disease》, the research content is summarized as follows. Parkinson’s disease (PD) is a debilitating and common neurodegenerative disease. New insights implicating c-Abl activation as a driving force in PD have opened a new drug development avenue for PD treatment beyond the symptomatic relief by L-DOPA. BCR-Abl inhibitors, which include nilotinib and ponatinib, have been found to inhibit this process, and nilotinib has shown improvement in outcomes in a 12-patient, nonrandomized trial. However, nilotinib is a potent inhibitor of hERG, a cardiac K+ channel whose inhibition increases risk of sudden death. We used our machine learning approach to predict novel mols. that would inhibit c-Abl while also having minimal liability against hERG. Of our six novel compounds tested, we identified two that had c-Abl potencies comparable to nilotinib, but with significantly improved profiles regarding the hERG channel. Our best compound exhibited a hERG IC50 of 12.1μM (compared to nilotinib with an IC50 of 0.45μM and ponatinib with IC50 of 0.767μM). This work is a step forward for a machine learning enabled, multiparameter optimization of a chem. space and represents a significant advance in the development of novel Parkinson’s therapies.
Computed Properties of 103-76-4, 1-(2-Hydroxyethyl)piperazine is a useful research compound. Its molecular formula is C6H14N2O and its molecular weight is 130.19 g/mol. The purity is usually 95%.
1-(2-Hydroxyethyl)piperazine is a chemical solvent that is used for the absorption of amines and other compounds. It has been shown to have a high affinity for acidic substances, which may be due to its ability to form hydrogen bonds with them. 1-(2-Hydroxyethyl)piperazine is also used in sample preparation for the analysis of amines and other compounds in fruit extracts. The solubility of 1-(2-Hydroxyethyl)piperazine depends on the experimental conditions, including pH, temperature, and pressure. FT-IR spectroscopy has been used to measure the vibrational modes of 1-(2-Hydroxyethyl)piperazine molecules. The IR spectrum revealed that this compound contains a hydroxyl group and two fatty acid chains with one or more hydroxyl groups at their terminal end. The nmr spectrum showed that 1-(2-Hydroxyethyl)piperazine contains an NH proton as well as, 103-76-4.
Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics