2338-56-9

Basic information

• Product Name: 4-FLUORO-2,6-DIMETHYLPHENOL
• Synonyms: 4-FLUORO-2,6-DIMETHYLPHENOL;4-FLUORO-2,6-DIMETHYLPHENOL(WXC08740);Phenol, 4-fluoro-2,6-dimethyl-
• CAS NO: 2338-56-9
• Molecular Formula: C₈H₉FO
• Molecular Weight: 140.15
• Mol File: 2338-56-9.mol
• Article Data: 12

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-FLUORO-2,6-DIMETHYLPHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-FLUORO-2,6-DIMETHYLPHENOL(2338-56-9)
• EPA Substance Registry System: 4-FLUORO-2,6-DIMETHYLPHENOL(2338-56-9)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 2338-56-9(Hazardous Substances Data)

Usage

General Description

4-Fluoro-2,6-dimethylphenol is a chemical compound that consists of a phenolic ring with a fluorine atom and two methyl groups attached. It is primarily used as a preservative in various industrial products, such as paints, adhesives, and metalworking fluids. It is also used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. Additionally, it has antimicrobial properties and is used in some personal care products. However, due to its potential toxicity, exposure to 4-fluoro-2,6-dimethylphenol should be limited and safety precautions should be followed during its handling and use.

Upstream product

• 289038-20-6 2-bromo-5-fluoro-1,3-dimethylbenzene 
• 14659-58-6 2‐bromo‐5‐fluoro‐1,3‐dimethylbenzene 
• 19023-45-1 3,5-dimethyl-4-nitro-benzoic acid amide 
• 34761-82-5 3,5-dimethyl-4-nitroaniline 
• 315-12-8 2,6-dimethyl-4-fluoro-1-nitro-benzene 
• 3095-38-3 3,5-dimethyl-4-nitrobenzoic acid 
• 392-70-1 2,6-dimethyl-4-fluoroaniline 
• 576-26-1 2.6-dimethylphenol 

Relevant articles and documents

Discovery of selective HDAC/BRD4 dual inhibitors as epigenetic probes

According to the binding mode of ABBV-744 with bromodomains and the cape space of HDAC, the novel selective HDAC/BRD4 dual inhibitors were designed and synthesized by the pharmacophore fusion strategy. Evaluating the biomolecular activities through SARs exploration identified three kinds of selective dual inhibitors 41c (HDAC1/BRD4), 43a (pan-HDAC/BRD4) and 43d (HDAC6/BRD4(BD2)), whose target-related cellular activities in MV-4-11 cells were also confirmed. Significantly, the selective dual inhibitor 41c (HDAC1/BRD4) exhibited synergistic effects against MV-4-11 cells, which strongly induced G0/G1 cell cycle arrest and apoptosis, and the first HDAC6/BRD4(BD2) dual inhibitor was found. This study provides support for selective HDAC/BRD4 dual inhibitors as epigenetic probes based on pyrrolopyridone core for the future biological evaluation in different cancer cell lines.

SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF

The present invention relates to a sulfoximine compound represented by formula (I) as a bromodomain protein inhibitor and a pharmaceutically acceptable salt thereof and to a preparation method, pharmaceutical composition, and medical use thereof.

Discovery of N-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1 H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain

The BET family of proteins consists of BRD2, BRD3, BRD4, and BRDt. Each protein contains two distinct bromodomains (BD1 and BD2). BET family bromodomain inhibitors under clinical development for oncology bind to each of the eight bromodomains with similar affinities. We hypothesized that it may be possible to achieve an improved therapeutic index by selectively targeting subsets of the BET bromodomains. Both BD1 and BD2 are highly conserved across family members (>70% identity), whereas BD1 and BD2 from the same protein exhibit a larger degree of divergence (a?40% identity), suggesting selectivity between BD1 and BD2 of all family members would be more straightforward to achieve. Exploiting the Asp144/His437 and Ile146/Val439 sequence differences (BRD4 BD1/BD2 numbering) allowed the identification of compound 27 demonstrating greater than 100-fold selectivity for BRD4 BD2 over BRD4 BD1. Further optimization to improve BD2 selectivity and oral bioavailability resulted in the clinical development compound 46 (ABBV-744).