175135-62-3

Basic information

• Product Name: 2-(2,4-DIFLUOROPHENOXY)-3-NITROPYRIDINE
• Synonyms: 2-(2,4-DIFLUOROPHENOXY)-3-NITROPYRIDINE;BUTTPARK 48\08-92;2-(2,4-Difluorophenoxy)-3-nitropyridine 97%;2-(2,4-Difluorophenoxy)-3-nitropyridine97%
• CAS NO: 175135-62-3
• Molecular Formula: C₁₁H₆F₂N₂O₃
• Molecular Weight: 252.17
• Mol File: 175135-62-3.mol
• Article Data: 2

Chemical Properties

• Melting Point: 63 °C
• Boiling Point: 301.2 °C at 760 mmHg
• Flash Point: 136 °C
• Appearance: /
• Density: 1.453 g/cm³
• Vapor Pressure: 0.00107mmHg at 25°C
• Refractive Index: 1.585
• Storage Temp.: 2-8°C
• PKA: -1.95±0.22(Predicted)
• CAS DataBase Reference: 2-(2,4-DIFLUOROPHENOXY)-3-NITROPYRIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2,4-DIFLUOROPHENOXY)-3-NITROPYRIDINE(175135-62-3)
• EPA Substance Registry System: 2-(2,4-DIFLUOROPHENOXY)-3-NITROPYRIDINE(175135-62-3)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 175135-62-3(Hazardous Substances Data)

Usage

General Description

2-(2,4-Difluorophenoxy)-3-nitropyridine is a chemical compound with the molecular formula C10H6F2N2O3. It is a derivative of pyridine with a nitro group and a difluorophenoxy group attached to the second and third position of the pyridine ring, respectively. 2-(2,4-DIFLUOROPHENOXY)-3-NITROPYRIDINE is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals due to its versatile reactivity and biological activity. It also possesses interesting properties that make it a useful tool for the development of new materials and functional molecules. Additionally, 2-(2,4-Difluorophenoxy)-3-nitropyridine has potential applications in the field of organic electronics and materials science. Overall, this compound has a wide range of potential uses across various scientific disciplines, making it an important and valuable chemical in research and industry.

InChI:InChI=1/C11H8F2N2O/c12-7-3-4-10(8(13)6-7)16-11-9(14)2-1-5-15-11/h1-6H,14H2

Upstream product

• 109-09-1 2-chloropyridine 
• 367-27-1 2,4-difluorophenol 
• 5470-18-8 2-Chloro-3-nitropyridine 

Downstream Products

• 175135-63-4 2-(2,4-difluorophenoxy)pyridin-3-amine 

Relevant articles and documents

Chemical validation of a druggable site on Hsp27/HSPB1 using in silico solvent mapping and biophysical methods

Destabilizing mutations in small heat shock proteins (sHsps) are linked to multiple diseases; however, sHsps are conformationally dynamic, lack enzymatic function and have no endogenous chemical ligands. These factors render sHsps as classically “undruggable” targets and make it particularly challenging to identify molecules that might bind and stabilize them. To explore potential solutions, we designed a multi-pronged screening workflow involving a combination of computational and biophysical ligand-discovery platforms. Using the core domain of the sHsp family member Hsp27/HSPB1 (Hsp27c) as a target, we applied mixed solvent molecular dynamics (MixMD) to predict three possible binding sites, which we confirmed using NMR-based solvent mapping. Using this knowledge, we then used NMR spectroscopy to carry out a fragment-based drug discovery (FBDD) screen, ultimately identifying two fragments that bind to one of these sites. A medicinal chemistry effort improved the affinity of one fragment by ~50-fold (16 μM), while maintaining good ligand efficiency (~0.32 kcal/mol/non-hydrogen atom). Finally, we found that binding to this site partially restored the stability of disease-associated Hsp27 variants, in a redox-dependent manner. Together, these experiments suggest a new and unexpected binding site on Hsp27, which might be exploited to build chemical probes.