959961-65-0

Basic information

• Product Name: 2-BroMo-1-fluoro-4-Methanesulfonylbenzene
• Synonyms: 2-BroMo-1-fluoro-4-Methanesulfonylbenzene;2-bromo-1-fluoro-4-(methylsulfonyl)benzene
• CAS NO: 959961-65-0
• Molecular Formula: C7H6BrFO2S
• Molecular Weight: 253.0887432
• Mol File: 959961-65-0.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-BroMo-1-fluoro-4-Methanesulfonylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BroMo-1-fluoro-4-Methanesulfonylbenzene(959961-65-0)
• EPA Substance Registry System: 2-BroMo-1-fluoro-4-Methanesulfonylbenzene(959961-65-0)

Safety Data

• Hazardous Substances Data: 959961-65-0(Hazardous Substances Data)

Usage

General Description

2-Bromo-1-fluoro-4-methanesulfonylbenzene is an organic compound with the chemical formula C7H6BrFSO2. It is a clear, colorless liquid with a pungent odor and is commonly used as an intermediate in the pharmaceutical and agrochemical industries. 2-BroMo-1-fluoro-4-Methanesulfonylbenzene is characterized by its bromine, fluorine, and methanesulfonyl functional groups, which make it a versatile building block for the synthesis of various other organic compounds. It is mainly used in the production of pharmaceuticals and agrochemicals that have applications in the medical, veterinary, and agricultural sectors. Due to its potential toxicity and reactivity, proper handling and storage procedures must be strictly followed when working with 2-Bromo-1-fluoro-4-methanesulfonylbenzene.

Upstream product

• 942473-85-0 3-bromo-4-fluorobenzenethiol 
• 1511032-71-5 (3-bromo-4-fluorophenyl)(methyl)sulfane 
• 455-15-2 1-(methylsufonyl)-4-fluorobenzene 

Relevant articles and documents

Bromine structural domain inhibitor compound and application thereof

The invention relates to a bromine structural domain inhibitor and provides a compound shown in a general formula I, pharmaceutical salt, an enantiomer, a diastereoisomer, an atropisomer, racemate, apolymorphic substance and solvate of the compound or an isotope labelled compound (including a deuterium substituted compound), a preparation method of the compound, pharmaceutical composition containing the compound and an application of the above components in pharmaceuticals.

Design and Activity of Specific Hypoxia-Inducible Factor-2α (HIF-2α) Inhibitors for the Treatment of Clear Cell Renal Cell Carcinoma: Discovery of Clinical Candidate (S)-3-((2,2-Difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1 H-inden-4-yl)oxy)-5-fluorobenzonitrile (PT2385)

HIF-2α, a member of the HIF family of transcription factors, is a key oncogenic driver in cancers such as clear cell renal cell carcinoma (ccRCC). A signature feature of these cancers is the overaccumulation of HIF-2α protein, often by inactivation of the E3 ligase VHL (von Hippel-Lindau). Herein we disclose our structure based drug design (SBDD) approach that culminated in the identification of PT2385, the first HIF-2α antagonist to enter clinical trials. Highlights include the use of a putative n → π?Ar interaction to guide early analog design, the conformational restriction of an essential hydroxyl moiety, and the remarkable impact of fluorination near the hydroxyl group. Evaluation of select compounds from two structural classes in a sequence of PK/PD, efficacy, PK, and metabolite profiling identified 10i (PT2385, luciferase EC50 = 27 nM) as the clinical candidate. Finally, a retrospective crystallographic analysis describes the structural perturbations necessary for efficient antagonism.

Methylpyrrole inhibitors of BET bromodomains

An NMR fragment screen for binders to the bromodomains of BRD4 identified 2-methyl-3-ketopyrroles 1 and 2. Elaboration of these fragments guided by structure-based design provided lead molecules with significant activity in a mouse tumor model. Further mo