161405-29-4

Basic information

• Product Name: 8-Bromo-4-hydroxy-5-methoxy- quinoline-3-carboxylic acid
• Synonyms: 8-Bromo-4-hydroxy-5-methoxy- quinoline-3-carboxylic acid
• CAS NO: 161405-29-4
• Molecular Formula: C11H8BrNO4
• Molecular Weight: 298.08952
• Mol File: 161405-29-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 468.7±45.0 °C(Predicted)
• Appearance: /
• Density: 1.775±0.06 g/cm3(Predicted)
• PKA: 0?+-.0.30(Predicted)
• CAS DataBase Reference: 8-Bromo-4-hydroxy-5-methoxy- quinoline-3-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 8-Bromo-4-hydroxy-5-methoxy- quinoline-3-carboxylic acid(161405-29-4)
• EPA Substance Registry System: 8-Bromo-4-hydroxy-5-methoxy- quinoline-3-carboxylic acid(161405-29-4)

Safety Data

• Hazardous Substances Data: 161405-29-4(Hazardous Substances Data)

Upstream product

• 5344-78-5 4-bromo-3-nitroanizole 
• 59557-92-5 2-bromo-5-methoxyaniline 
• 220844-53-1 2-[(2-bromo-5-methoxy-phenylamino)methylene]malonic acid diethyl ester 

Relevant articles and documents

Computer-Aided Molecular Modeling, Synthesis, and Biological Evaluation of 8-(Benzyloxy)-2-phenylpyrazoloquinoline as a Novel Benzodiazepine Receptor Agonist Ligand

Using computer-aided conformational analysis, based on molecular dynamics simulation, cluster analysis, and Monte Carlo techniques, we have designed and synthesized compounds in which a benzyloxy substituent has been incorporated into a series of pyrazoloquinoline benzodiazepine receptor (BZR) ligands.Earlier studies had shown that the benzyloxy group could act as part of the agonist pharmacophoric determinant in the β-carboline ring system.Furthermore, the agonist β-carboline had been correlated with a binding site orientation and volume fit for an agonist 6-phenylimidazobenzodiazepine carboxylate.The present study was undertaken to determine whether the benzyloxy substituent could be used as an agonist pharmacophoric descriptor for the phenylpyrazoloquinolin-3-one BZR ligands.The results of a determination of GABA shift ratios for the synthetic ligands indicate that 8-(benzyloxy)-2-phenylpyrazoloquinolin-3-one can be predicted to be an agonist at the BZR.