41153-83-7

Basic information

• Product Name: 6-bromo-2,1,3-benzoxadiazole 1-oxide
• Synonyms: 6-bromo-2,1,3-benzoxadiazole 1-oxide;5-Bromobenzo[2,1,3]oxadiazole 3-oxide;6-BROMOBENZO[C][1,2,5]OXADIAZOLE 1-OXIDE
• CAS NO: 41153-83-7
• Molecular Formula: C6H3BrN2O2
• Molecular Weight: 215
• Mol File: 41153-83-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 311.7°C at 760 mmHg
• Flash Point: 142.3°C
• Appearance: /
• Density: 2.07g/cm³
• Vapor Pressure: 0.00102mmHg at 25°C
• Refractive Index: 1.74
• CAS DataBase Reference: 6-bromo-2,1,3-benzoxadiazole 1-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: 6-bromo-2,1,3-benzoxadiazole 1-oxide(41153-83-7)
• EPA Substance Registry System: 6-bromo-2,1,3-benzoxadiazole 1-oxide(41153-83-7)

Safety Data

• Hazardous Substances Data: 41153-83-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H3BrN2O2/c7-4-1-2-5-6(3-4)9(10)11-8-5/h1-3H

Upstream product

• 875-51-4 4-Bromo-2-nitroaniline 
• 88-74-4 2-nitro-aniline 

Downstream Products

• 51376-06-8 5-bromo-benzo[1,2,5]oxadiazole 
• 426268-09-9 benzo[c][1,2,5]oxadiazole-5-boronic acid 
• 426268-06-6 RO-458,2640 

Relevant articles and documents

Discovery and development of novel salicylate synthase (MbtI) furanic inhibitors as antitubercular agents

We report on the virtual screening, synthesis, and biological evaluation of new furan derivatives targeting Mycobacterium tuberculosis salicylate synthase (MbtI). A receptor-based virtual screening procedure was applied to screen the Enamine database, identifying two compounds, I and III, endowed with a good enzyme inhibitory activity. Considering the most active compound I as starting point for the development of novel MbtI inhibitors, we obtained new derivatives based on the furan scaffold. Among the SAR performed on this class, compound 1a emerged as the most potent MbtI inhibitor reported to date (Ki = 5.3 μM). Moreover, compound 1a showed a promising antimycobacterial activity (MIC99 = 156 μM), which is conceivably related to mycobactin biosynthesis inhibition.

Synthesis of 4-(8-benzo[1,2,5]oxadiazol-5-yl-[1,7]naphthyridine-6-yl)-benzoic acid: A potent and selective phosphodiesterase type 4D inhibitor

The synthesis of a 6,8-disubstituted 1,7-naphthyridine 1 and its characterization as a potent and selective phosphodiesterase type 4D inhibitor (IC50=1.5nM) are described. The compound inhibited TNFα-release from human peripheral blood mononuclear cells and was orally active in a model of adjuvant-induced arthritis in rats.