2044-66-8

Basic information

• Product Name: Butanamide, 3-oxo-N-(2-phenylethyl)-
• CAS NO: 2044-66-8
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.257
• Mol File: 2044-66-8.mol
• Article Data: 10

Chemical Properties

• CAS DataBase Reference: Butanamide, 3-oxo-N-(2-phenylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Butanamide, 3-oxo-N-(2-phenylethyl)-(2044-66-8)
• EPA Substance Registry System: Butanamide, 3-oxo-N-(2-phenylethyl)-(2044-66-8)

Safety Data

• Hazardous Substances Data: 2044-66-8(Hazardous Substances Data)

Upstream product

• 85920-63-4 5-(1-hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 64-04-0 phenethylamine 
• 1694-31-1 tert-butyl acetoacetate 
• 5394-63-8 2,2,6-trimethyl-4H-1,3-dioxin-4-one 
• 674-82-8 4-methyleneoxetan-2-one 

Downstream Products

• 112369-45-6 1,4-di-N-oxide-3-methylquinoxaline-2-carboxylic acid 2-phenylethylamide 
• 404570-09-8 2-acetyl-3-(3,4-dichlorophenyl)-N-(2-phenylethyl)-acrylamide 
• 1228550-78-4 3,7-dimethyl-1,4-di-N-oxidequinoxaline-2-carboxylic acid 2-phenylethylamide 
• 938180-01-9 2-(3-fluoro-2-hydroxyphenyl)-6-methyl-5-(5-methyl-2-thienyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone 
• 938180-21-3 2-{3-fluoro-2-[(phenylmethyl)oxy]phenyl}-6-methyl-3-(2-phenylethyl)-4(3H)-pyrimidinone 
• 1228550-81-9 7-chloro-1,4-di-N-oxide-3-methylquinoxaline-2-carboxylic acid 2-phenylethylamide 
• 1228550-82-0 6,7-dichloro-1,4-di-N-oxide-3-methylquinoxaline-2-carboxylic acid 2-phenylethylamide 
• 1227077-52-2 2-ethyl-6-methyl-3-(2-phenylethyl)-3H-pyrimidin-4-one 
• 1227077-55-5 6-methyl-3-(2-phenylethyl)-2-(phenylmethyl)-3H-pyrimidin-4-one 
• 1227077-54-4 2-cyclohexyl-6-methyl-3-(2-phenylethyl)-3H-pyrimidin-4-one 
• 1227077-56-6 6-methyl-3-(2-phenylethyl)-2-(4-pyridinyl)-3H-pyrimidin-4-one 
• 1227077-53-3 6-methyl-2-(1-methylethyl)-3-(2-phenylethyl)-3H-pyrimidin-4-one 
• 1227077-57-7 6-methyl-3-(2-phenylethyl)-2-(2-pyrazinyl)-3H-pyrimidin-4-one 
• 1227077-59-9 6-methyl-3-(2-phenylethyl)-2-(2-thienyl)-3H-pyrimidin-4-one 

Relevant articles and documents

Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction

The pregnane X receptor (PXR) regulates expression of proteins responsible for all three phases required for the detoxification mechanism, which include CYP450 enzymes, phase II enzymes, and multidrug efflux pumps. Therefore, PXR is a prominent receptor t

Studies on log Po/w of quinoxaline di-N-oxides: A comparison of RP-HPLC experimental and predictive approaches

As reported in our previous papers, a series of quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives were synthesized and studied as anti-tuberculosis agents. Here, the capability of the shake-flask method was studied and the retention time (expressed as log K) of 20 compounds were determined by RP-HPLC analysis. We found that the prediction of log P by the RP-HPLC analysis can result in a high accuracy and can replace the shake-flask method avoiding the experimental problems presented by quinoxaline di-N-oxides. The studied compounds were subjected to the ALOGPS module with the aim of comparing experimental log Po/w values and predicted data. Moreover, a preliminary in silico screening of the QSAR relationship was made confirming the influence of reduction peak potential, lipophilicity, H-bond donor capacity and molecular dimension descriptors on anti-tuberculosis activity.

New 3-methylquinoxaline-2-carboxamide 1,4-di-N-oxide derivatives as anti-Mycobacterium tuberculosis agents

Mycobacterium tuberculosis (M.Tb) is a bacillus capable of causing a chronic and fatal condition in humans known as tuberculosis (TB). It is estimated that there are 8 million new cases of TB per year and 3.1 million infected people die annually. Thirty-six new amide quinoxaline 1,4-di-N-oxide derivatives have been synthesized and evaluated as potential anti-tubercular agents, obtaining biological values similar to the reference compound, Rifampin (RIF).