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. Formula: C6H14N2O.
Leal, Emilse S.;Adler, Natalia S.;Fernandez, Gabriela A.;Gebhard, Leopoldo G.;Battini, Leandro;Aucar, Maria G.;Videla, Mariela;Monge, Maria Eugenia;Hernandez de los Rios, Alejandro;Acosta Davila, John Alejandro;Morell, Maria L.;Cordo, Sandra M.;Garcia, Cybele C.;Gamarnik, Andrea V.;Cavasotto, Claudio N.;Bollini, Mariela research published 《 De novo design approaches targeting an envelope protein pocket to identify small molecules against dengue virus》, the research content is summarized as follows. Dengue fever is a mosquito-borne viral disease that has become a major public health concern worldwide. This disease presents with a wide range of clin. manifestations, from a mild cold-like illness to the more serious hemorrhagic dengue fever and dengue shock syndrome. Currently, neither an approved drug nor an effective vaccine for the treatment are available to fight the disease. The envelope protein (E) is a major component of the virion surface. This protein plays a key role during the viral entry process, constituting an attractive target for the development of antiviral drugs. The crystal structure of the E protein reveals the existence of a hydrophobic pocket occupied by the detergent n-octyl-β-d-glucoside (β-OG). This pocket lies at the hinge region between domains I and II and is important for the low pH-triggered conformational rearrangement required for the fusion of the virion with the host’s cell. Aiming at the design of novel mols. which bind to E and act as virus entry inhibitors, we undertook a de novo design approach by “growing” mols. inside the hydrophobic site (β-OG). From more than 240000 small-mols. generated, the 2,4 pyrimidine scaffold was selected as the best candidate, from which one synthesized compound displayed micromolar activity. Mol. dynamics-based optimization was performed on this hit, and thirty derivatives were designed in silico, synthesized and evaluated on their capacity to inhibit dengue virus entry into the host cell. Four compounds were found to be potent antiviral compounds in the low-micromolar range. The assessment of drug-like physicochem. and in vitro pharmacokinetic properties revealed that compounds 3e and 3h presented acceptable solubility values and were stable in mouse plasma, simulated gastric fluid, simulated intestinal fluid, and phosphate buffered saline solution pyrimidine.
Formula: C6H14N2O, 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