1798-99-8

Usage

Uses

Used in Organic Synthesis:
(3-BROMO-PHENOXY)-ACETIC ACID is used as a building block in organic synthesis for its ability to facilitate the creation of complex organic molecules, contributing to the development of new pharmaceuticals and other chemical products.
Used in Pharmaceutical Research:
In pharmaceutical research, (3-BROMO-PHENOXY)-ACETIC ACID is utilized as an intermediate, playing a crucial role in the synthesis of potential drug candidates, thereby aiding in the advancement of novel therapeutic agents.
Used in Agrochemical Production:
(3-BROMO-PHENOXY)-ACETIC ACID is used as an intermediate in the production of herbicides and pesticides, contributing to the development of effective crop protection agents that help ensure agricultural productivity.
Used in Disease Treatment:
Due to its interaction with biological systems, (3-BROMO-PHENOXY)-ACETIC ACID has potential applications in the treatment of various diseases, although further research is required to fully understand and harness its therapeutic potential.

InChI:InChI=1/C8H7BrO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)/p-1

Upstream product

• 591-20-8 3-Bromophenol 
• 79-11-8 chloroacetic acid 
• 138139-14-7 ethyl 3-bromophenyloxyacetate 
• 79-08-3 bromoacetic acid 
• 277331-38-1 tert-butyl 2-(3-bromophenoxy)acetate 
• 111758-64-6 methyl 3-Bromophenoxyacetate 

Downstream Products

• 6467-28-3 3-Brom-4-<2-methylen-butyryl>-phenoxyessigsaeure 
• 111758-64-6 methyl 3-Bromophenoxyacetate 
• 496052-50-7 1-bromo-3-(fluoromethoxy)benzene 
• 1595290-64-4 tert-butyl 5-((tert-butoxycarbonyl)(2-(3-(2-(cyclopropylamino)-2-oxoethoxy)phenyl)-5-methylpyrimidin-4-yl)amino)-1H-indazole-1-carboxylate 
• 1595290-65-5 tert-butyl 5-((tert-butoxycarbonyl)(2-(3-(2-((1-(tert-butoxycarbonyl)piperidin-4-yl)amino)-2-oxoethoxy)phenyl)-5-methylpyrimidin-4-yl)amino)-1H-indazole-1-carboxylate 
• 1595289-53-4 tert-butyl 5-((tert-butoxycarbonyl)(2-(3-(2-((1-(tert-butoxycarbonyl)piperidin-4-yl)amino)-2-oxoethoxy)phenyl)-5-methylpyrimidin-4-yl)amino)-1H-indazole-1-carboxylate 
• 1017020-52-8 2-(3-bromophenoxy)-N-cyclopropylacetamide 
• 1595290-69-9 N-cyclopropyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide 
• 1595290-72-4 tert-butyl 4-(2-(3-bromophenoxy)acetamido)piperidine-1-carboxylate 
• 1595290-75-7 tert-butyl 4-(2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamido)piperidine-1-carboxylate 
• 299443-53-1 C₉H₈BrN₃OS 

Relevant academic research and scientific papers

NOVEL COMPOUNDS AND THERAPEUTICS USES THEREOF

The invention relates to novel compounds with the ability to link an immune response to a defined therapeutic target, to the use of said compounds in treating cancer and infectious diseases, to compositions containing said compounds, processes for their preparation and to novel intermediates used in said process.

Design and synthesis of novel meta-linked phenylglycine macrocyclic FVIIa inhibitors

Two novel series of meta-linked phenylglycine-based macrocyclic FVIIa inhibitors have been designed to improve the rodent metabolic stability and PK observed with the precursor para-linked phenylglycine macrocycles. Through iterative structure-based design and optimization, the TF/ FVIIa Ki was improved to subnanomolar levels with good clotting activity, metabolic stability, and permeability.

Radical decarboxylative fluorination of aryloxyacetic acids using N-fluorobenzenesulfonimide and a photosensitizer

Fluorinated methoxy arenes are emerging as important motifs in both agrochemicals and pharmaceuticals. A novel technique for the synthesis of monofluoromethoxy arenes through the direct fluorodecarboxylation of carboxylic acids was developed that uses photosensitizers and N-fluorobenzenesulfonimide (NFSI). Utilization of the oxidatively mild fluorine transfer agent NFSI enabled the synthesis of fluoromethyl ethers that were previously inaccessible with decarboxylative fluorinations performed with Selectfluor. Mechanistic studies are consistent with the photosensitizer effecting oxidation of the aryloxyacetic acid.

Finding new elicitors that induce resistance in rice to the white-backed planthopper Sogatella furcifera

Herein we report a new way to identify chemical elicitors that induce resistance in rice to herbivores. Using this method, by quantifying the induction of chemicals for GUS activity in a specific screening system that we established previously, 5 candidate elicitors were selected from the 29 designed and synthesized phenoxyalkanoic acid derivatives. Bioassays confirmed that these candidate elicitors could induce plant defense and then repel feeding of white-backed planthopper Sogatella furcifera.

Synthesis, evaluation and in silico molecular modeling of pyrroyl-1,3,4-thiadiazole inhibitors of InhA

Enoyl acyl carrier protein reductase (ENR) is an essential type II fatty acid synthase (FAS-II) pathway enzyme that is an attractive target for designing novel antitubercular agents. Herein, we report sixty-eight novel pyrrolyl substituted aryloxy-1,3,4-thiadiazoles synthesized by three-step optimization processes. Three-dimensional quantitative structure-activity relationships (3D-QSAR) were established for pyrrolyl substituted aryloxy-1,3,4-thiadiazole series of InhA inhibitors using the comparative molecular field analysis (CoMFA). Docking analysis of the crystal structure of ENR performed by using Surflex-Dock in Sybyl-X 2.0 software indicates the occupation of pyrrolyl substituted aryloxy 1,3,4-thiadiazole into hydrophobic pocket of InhA enzyme. Based on docking and database alignment rules, two computational models were established to compare their statistical results. The analysis of 3D contour plots allowed us to investigate the effect of different substituent groups at different positions of the common scaffold. In vitro testing of ligands using biological assays substantiated the efficacy of ligands that were screened through in silico methods.

TREATMENT OF OCULAR DISORDERS

The invention provides methods of treatment of ocular disorders, including ocular disease with an angiogenic component. In certain embodiments, the treatment comprises administration of a ROCK2 inhibitor and an angiogenesis inhibitor. In certain embodiments, the ROCK2 inhibitor is ROCK2 selective. In certain embodiments, the angiogenesis inhibitor is a VEGF antagonist, for example, and VEGFR2 antibody.

MACROCYCLIC FACTOR VIIA INHIBITORS

The present invention provides compounds of Formula (I) as defined in the specification and compositions comprising any of such novel compounds. These compounds are Factor VIIa inhibitors which may be used as medicaments.

Photo-fluorodecarboxylation of 2-aryloxy and 2-aryl carboxylic acids

Coming to light: The title reaction simply requires an aqueous alkaline solution of Selectfluor and light. The method is inexpensive and effective for a wide range of neutral and electron-poor 2-aryloxy and 2-aryl acetic acids to provide fluoromethyl ethers (see scheme) and benzyl fluorides, respectively. The mechanism most likely proceeds through an initial aryl excitation with a subsequent single-electron transfer. Copyright

Inhibition of monoamine oxidase by 8-phenoxymethylcaffeine derivatives

A recent study has reported that a series of 8-benzyloxycaffeines are potent and reversible inhibitors of both human monoamine oxidase (MAO) isoforms, MAO-A and -B. In an attempt to discover additional caffeine derivatives with potent MAO inhibitory activities, and to contribute to the known structure-activity relationships of MAO inhibition by caffeine derived compounds, the present study investigates the MAO inhibitory potencies of series of 8-phenoxymethylcaffeine and 8-[(phenylsulfanyl)methyl]caffeine derivatives. The results document that the 8-phenoxymethylcaffeine derivatives act as potent reversible inhibitors of MAO-B, with IC50 values ranging from 0.148 to 5.78 μM. In contrast, the 8-[(phenylsulfanyl)methyl]caffeine derivatives were found to be weak inhibitors of MAO-B, with IC50 values ranging from 4.05 to 124 μM. Neither the 8-phenoxymethylcaffeine nor the 8-[(phenylsulfanyl)methyl]caffeine derivatives exhibited high binding affinities for MAO-A. While less potent than the 8-benzyloxycaffeines as MAO-B inhibitors, this study concludes that 8-phenoxymethylcaffeines may act as useful leads for the design of MAO-B selective inhibitors. Such compounds may find application in the therapy of neurodegenerative disorders such as Parkinson's disease. Using molecular docking experiments, this study also proposes possible binding orientations of selected caffeine derivatives in the active sites of MAO-A and -B.

Synthesis and anti-bacterial activity of new series of 4-(substituted biphenyl-4-yl)-6-methyl-2-oxo/thioxo-1,2,3, 4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester

(Chemical Equation Presented) New series of 4-(substituted biphenyl-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester and 4-(substituted biphenyl-4-yl)-6-methyl-2-thioxo-1,2,3,4- tetrahydro-pyrimidine-5-carboxylic acid ethyl ester has been synthesized and the structures of the new compounds were established on the basis of 1H NMR, Mass (ES/MS), elemental analysis, and melting point. In-vitro antibacterial activity (MIC activity) was evaluated and compared with standard drugs ciprofloxacin, sparfloxacin, and trovafloxacin. Most of the compounds in this new series have shown moderate antibacterial activity against both Gram-positive and Gram-negative organisms.