1026896-85-4

Basic information

• Product Name: 2-(4-Bromo-phenylsulfamoyl)-benzoic acid methyl ester
• CAS NO: 1026896-85-4
• Molecular Weight: 370.224
• Mol File: 1026896-85-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-(4-Bromo-phenylsulfamoyl)-benzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-Bromo-phenylsulfamoyl)-benzoic acid methyl ester(1026896-85-4)
• EPA Substance Registry System: 2-(4-Bromo-phenylsulfamoyl)-benzoic acid methyl ester(1026896-85-4)

Safety Data

• Hazardous Substances Data: 1026896-85-4(Hazardous Substances Data)

Upstream product

• 106-40-1 4-bromo-aniline 
• 26638-43-7 2-methoxycarbonylbenzenesulfonyl chloride 

Downstream Products

• 1028259-71-3 C₁₈H₁₃BrN₂O₆S 
• 1026308-58-6 [2-(4-Bromo-phenyl)-3-cyano-1,1-dioxo-2,3-dihydro-1H-1λ⁶-benzo[d]isothiazol-3-yl]-cyano-acetic acid ethyl ester 
• 892248-34-9 2-(4-Bromo-phenyl)-1,1-dioxo-1,2-dihydro-1λ⁶-benzo[d]isothiazol-3-one 

Relevant articles and documents

Novel insights on saccharin- and acesulfame-based carbonic anhydrase inhibitors: design, synthesis, modelling investigations and biological activity evaluation

A large library of saccharin and acesulfame derivatives has been synthesised and evaluated against four isoforms of human carbonic anhydrase, the two off-targets hCA I/II and the tumour related isoforms hCA IX/XII. Different strategies of scaffold modification have been attempted on both saccharin as well as acesulfame core leading to the obtainment of 60 compounds. Some of them exhibited inhibitory activity in the nanomolar range, albeit some of the performed changes led to either micromolar activity or to its absence, against hCA IX/XII. Molecular modelling studies focused the attention on the binding mode of these compounds to the enzyme. The proposed inhibition mechanism is the anchoring to zinc-bound water molecule. Docking studies along with molecular dynamics also underlined the importance of the compounds flexibility (e.g. achieved through the insertion of methylene group) which favoured potent and selective hCA inhibition.