1879-58-9

Basic information

• Product Name: (3-Cyanophenoxy)acetic acid
• Synonyms: (3-Cyanophenoxy)acetic acid;2-(3-Cyanophenoxy)
• CAS NO: 1879-58-9
• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177
• Mol File: 1879-58-9.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 309.06°C (rough estimate)
• Flash Point: 166.826°C
• Appearance: /
• Density: 1.3312 (rough estimate)
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.5200 (estimate)
• PKA: 3.03(at 25℃)
• CAS DataBase Reference: (3-Cyanophenoxy)acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (3-Cyanophenoxy)acetic acid(1879-58-9)
• EPA Substance Registry System: (3-Cyanophenoxy)acetic acid(1879-58-9)

Safety Data

• Hazardous Substances Data: 1879-58-9(Hazardous Substances Data)

Usage

General Description

(3-Cyanophenoxy)acetic acid, also known as CAS 17286-36-1, is a chemical compound known for its use in the synthesis of various pharmaceutically active substances. It is an organic compound that falls into the category of phenols and derivatives. (3-Cyanophenoxy)acetic acid contains a benzene ring attached with a cyanide group at the 3rd position and a phenoxyacetic acid group attached at the 1st position. It has a role as a synthetic intermediate, specifically used in pharmaceuticals, and is known for its role as an environmental contaminant. This chemical is usually chosen because of its reactivity and structure, which enable further chemical reactions that can lead to various therapeutic agents.

InChI:InChI=1/C9H7NO3/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-4H,6H2,(H,11,12)

Upstream product

• 308272-30-2 tert-butyl (3-cyanophenoxy)acetate 
• 55197-25-6 ethyl [(3-cyanophenyl)oxy]acetate 
• 873-62-1 m-cyanophenol 
• 105-36-2 ethyl bromoacetate 
• 79-11-8 chloroacetic acid 

Downstream Products

• 1616074-74-8 2-(3-cyanophenoxy)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)acetamide 
• 115464-36-3 <3-(aminomethyl)phenoxy>acetic acid 
• 308288-86-0 4-[2-(3-carbamimidoyl-phenoxy)-acetylamino]-benzoic acid 
• 308288-84-8 4-[2-(3-cyano-phenoxy)-acetylamino]-benzoic acid 
• 308288-85-9 4-[2-(3-cyano-phenoxy)-acetylamino]-benzoic acid methyl ester 

Relevant articles and documents

A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity

Inhibiting the protein-protein interaction (PPI) between the transcription factor Nrf2 and its repressor protein Keap1 has emerged as a promising strategy to target oxidative stress in diseases, including central nervous system (CNS) disorders. Numerous non-covalent small-molecule Keap1-Nrf2 PPI inhibitors have been reported to date, but many feature suboptimal physicochemical properties for permeating the blood-brain barrier, while others contain problematic structural moieties. Here, we present the first side-by-side assessment of all reported Keap1-Nrf2 PPI inhibitor classes using fluorescence polarization, thermal shift assay, and surface plasmon resonance - and further evaluate the compounds in an NQO1 induction cell assay and in counter tests for nonspecific activities. Surprisingly, half of the compounds were inactive or deviated substantially from reported activities, while we confirm the cross-assay activities for others. Through this study, we have identified the most promising Keap1-Nrf2 inhibitors that can serve as pharmacological probes or starting points for developing CNS-active Keap1 inhibitors.

PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF

Described herein are compounds of Formula (A), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity. Methods of using the compounds for treating PRMT5- mediated disorders are also described.

Synthesis of aromatic amidino derivatives with ether structure

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