Pyrazine and a variety of alkylpyrazines are flavor and aroma compounds found in baked and roasted goods. 22047-25-2, formula is C6H6N2O, Name is Acetylpyrazine. Tetramethylpyrazine (also known as ligustrazine) is reported to scavenge superoxide anion and decrease nitric oxide production in human Granulocytes. Synthetic Route of 22047-25-2.
Sakkiah, Sugunadevi;Leggett, Carmine;Pan, Bohu;Guo, Wenjing;Valerio, Luis G.;Hong, Huixiao research published 《 Development of a Nicotinic Acetylcholine Receptor nAChR α7 Binding Activity Prediction Model》, the research content is summarized as follows. Despite the well-known adverse health effects associated with tobacco use, addiction to nicotine found in tobacco products causes difficulty in quitting among users. Nicotinic acetylcholine receptors (nAChRs) are the physiol. targets of nicotine and facilitate addiction to tobacco products. The nAChR-α7 subtype plays an important role in addiction; therefore, predicting the binding activity of tobacco constituents to nAChR-α7 is an important component for assessing addictive potential of tobacco constituents. We developed an α7 binding activity prediction model based on a large training data set of 843 chems. with human α7 binding activity data extracted from PubChem and ChEMBL. The model was tested using 1215 chems. with rat α7 binding activity data from the same databases. Based on the competitive docking results, the docking scores were partitioned to the key residues that play important roles in the receptor-ligand binding. A decision forest was used to train the human α7 binding activity prediction model based on the partition of docking scores. Five-fold cross validations were conducted to estimate the performance of the decision forest models. The developed model was used to predict the potential human α7 binding activity for 5275 tobacco constituents. The human α7 binding activity data for 84 of the 5275 tobacco constituents were exptl. measured to confirm and empirically validate the prediction results. The prediction accuracy, sensitivity, and specificity were 64.3, 40.0, and 81.6%, resp. The developed prediction model of human α7 may be a useful tool for high-throughput screening of potential addictive tobacco constituents.
Synthetic Route of 22047-25-2, 2-Acetylpyrazine has been identified as one of the volatile flavor constituents in popcorn, wheat and rye bread crust.
2-Acetylpyrazine, also known as 1-pyrazinylethanone or fema 3126, belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R’, where R = aryl group and R’=alkyl group. 2-Acetylpyrazine exists as a solid, soluble (in water), and a very weakly acidic compound (based on its pKa). Within the cell, 2-acetylpyrazine is primarily located in the cytoplasm. 2-Acetylpyrazine has a bitter, bread crust, and chip taste.
2-acetylpyrazine is a pyrazine that is substituted by an acetyl group at position 2. It has been identified as one of the volatile flavor constituents in popcorn, bread crust, vinegar, and potato snacks. It has a role as a flavouring agent. It is an aromatic ketone and a member of pyrazines.
2-Acetylpyrazine is a nitrogen containing compound that has been used in biological studies. 2-Acetylpyrazine has been shown to have inhibitory properties against the growth of prostate cancer cells and other cell lines. It also inhibits the production of fatty acids and epidermal growth factor, which are important for cellular proliferation. The inhibition is due to the photochemical properties of 2-acetylpyrazine, which cause the formation of reactive species that react with biological molecules. The reactive species may be generated by either a reaction mechanism or a reaction pathway that involve coordination geometry. 2-acetylpyrazine has also been used as a fluorescence probe for fatty acid detection in lipid bilayers and liposomes., 22047-25-2.