878207-28-4

Usage

Uses

Used in Pharmaceutical Industry:
METHYL 2-BROMO-4,5-DIFLUOROBENZOATE is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, METHYL 2-BROMO-4,5-DIFLUOROBENZOATE is utilized as an intermediate in the production of agrochemicals, playing a role in the creation of compounds that can protect crops and enhance agricultural productivity.
Used in Specialty Chemicals Production:
METHYL 2-BROMO-4,5-DIFLUOROBENZOATE also serves as a building block in the manufacturing process of specialty chemicals, where its unique properties are leveraged to produce high-value chemical products.
Safety Note:
Given its toxicity to aquatic life, METHYL 2-BROMO-4,5-DIFLUOROBENZOATE requires careful handling and production processes that incorporate appropriate safety measures to minimize environmental impact.

InChI:InChI=1/C8H5BrF2O2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,1H3

Upstream product

• 64695-84-7 2-bromo-4,5-difluorobenzoic acid 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 74-88-4 methyl iodide 
• 67-56-1 methanol 
• 145286-16-4 2-Chlorocarbonyl-4,5-difluoro-benzoic acid methyl ester 
• 18959-30-3 4,5-difluorophthalic anhydride 
• 942-06-3 4,5-dichlorophthalic anhydride 
• 145286-17-5 4,5-Difluoro-phthalic acid 1-methyl ester 2-(2-thioxo-2H-pyridin-1-yl) ester 

Downstream Products

• 64695-84-7 2-bromo-4,5-difluorobenzoic acid 
• 1309069-02-0 methyl 4-(5-(benzyloxy)-1H-indol-1-yl)-2-bromo-5-fluorobenzoate 
• 1309068-78-7 6-(5-(benzyloxy)-1H-indol-1-yl)-5-fluorobenzo[c][1,2]oxaborol-1(3H)-ol 
• 1309069-03-1 (4-(5-(benzyloxy)-1H-indol-1-yl)-2-bromo-5-fluorophenyl)methanol 
• 1374150-50-1 4,5-difluoro-2-formylbenzoic acid 
• 1374149-79-7 2-[5-(2-amino-pyrimidin-5-yl)-1-tert-butyl-1H-benzoimidazol-2-yl]-4,5-difluoro-N-methyl-benzamide 
• 1374150-51-2 C₂₂H₁₉F₂N₅O₂ 
• 1379005-23-8 methyl 4,5-difluoro-2-((4-methoxyphenyl)ethynyl)benzoate 

Relevant academic research and scientific papers

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Amixicile is a promising derivative of nitazoxanide (an antiparasitic therapeutic) developed to treat systemic infections caused by anaerobic bacteria, anaerobic parasites, and members of the Epsilonproteobacteria (Campylobacter and Helicobacter). Amixicile selectively inhibits pyruvate-ferredoxin oxidoreductase (PFOR) and related enzymes by inhibiting the function of the vitamin B1 cofactor (thiamine pyrophosphate) by a novel mechanism. Here, we interrogate the amixicile scaffold, guided by docking simulations, direct PFOR inhibition assays, and MIC tests against Clostridium difficile, Campylobacter jejuni, and Helicobacter pylori. Docking simulations revealed that the nitro group present in nitazoxanide interacts with the protonated N4′-aminopyrimidine of thiamine pyrophosphate (TPP). The ortho-propylamine on the benzene ring formed an electrostatic interaction with an aspartic acid moiety (B456) of PFOR that correlated with improved PFOR-inhibitory activity and potency by MIC tests. Aryl substitution with electron-withdrawing groups and substitutions of the propylamine with other alkyl amines or nitrogen-containing heterocycles both improved PFOR inhibition and, in many cases, biological activity against C. difficile. Docking simulation results correlate well with mechanistic enzymology and nuclear magnetic resonance (NMR) studies that show members of this class of antimicrobials to be specific inhibitors of vitamin B1 function by proton abstraction, which is both novel and likely to limit mutation-based drug resistance.

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