1253059-02-7

Basic information

• Product Name: 3,7-dimethylquinoxaline-2-carboxylic acid p-bromobenzylamide 1,4-di-N-oxide
• CAS NO: 1253059-02-7
• Molecular Weight: 402.247
• Mol File: 1253059-02-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3,7-dimethylquinoxaline-2-carboxylic acid p-bromobenzylamide 1,4-di-N-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: 3,7-dimethylquinoxaline-2-carboxylic acid p-bromobenzylamide 1,4-di-N-oxide(1253059-02-7)
• EPA Substance Registry System: 3,7-dimethylquinoxaline-2-carboxylic acid p-bromobenzylamide 1,4-di-N-oxide(1253059-02-7)

Safety Data

• Hazardous Substances Data: 1253059-02-7(Hazardous Substances Data)

Upstream product

• 89-62-3 4-methyl-2-nitroaniline 
• 3959-07-7 4-Bromobenzylamine 
• 1248731-85-2 3-oxo-N-(p-bromobenzyl)butanamide 
• 3524-05-8 6-methylbenzofuroxan 

Relevant articles and documents

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.