10531-43-8

Basic information

• Product Name: 2-BROMO-1-(5-PHENYL-2-THIENYL)-1-ETHANONE
• Synonyms: 2-BROMO-1-(5-PHENYL-2-THIENYL)-1-ETHANONE;2-(Bromoacetyl)-5-phenylthiophene;2-Bromo-1-(5-phenylthien-2-yl)ethan-1-one;2-broMo-1-(5-phenyl-thiophen-2-yl)-1-ethanone;2-bromo-1-(5-phenylthiophen-2-yl)ethanone
• CAS NO: 10531-43-8
• Molecular Formula: C₁₂H₉BrOS
• Molecular Weight: 281.17
• Mol File: 10531-43-8.mol
• Article Data: 2

Chemical Properties

• Melting Point: 115 °C
• Boiling Point: 407.1 °C at 760 mmHg
• Flash Point: 200 °C
• Appearance: /
• Density: 1.488 g/cm³
• Vapor Pressure: 7.72E-07mmHg at 25°C
• Refractive Index: 1.627
• CAS DataBase Reference: 2-BROMO-1-(5-PHENYL-2-THIENYL)-1-ETHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-1-(5-PHENYL-2-THIENYL)-1-ETHANONE(10531-43-8)
• EPA Substance Registry System: 2-BROMO-1-(5-PHENYL-2-THIENYL)-1-ETHANONE(10531-43-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 10531-43-8(Hazardous Substances Data)

Usage

General Description

2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone is a chemical compound with the molecular formula C12H9BrOS. It is a brominated aromatic ketone with a thiophene ring and a phenyl group attached to it. 2-BROMO-1-(5-PHENYL-2-THIENYL)-1-ETHANONE is used in organic synthesis and pharmaceutical research as an intermediate for the synthesis of various organic compounds. It is also used as a reagent in chemical reactions to introduce the bromine functional group into other molecules. Additionally, it has been studied for its potential biological and pharmacological activities, including its effects on the central nervous system and its potential as a drug candidate for various diseases.

InChI:InChI=1/C12H9BrOS/c13-8-10(14)12-7-6-11(15-12)9-4-2-1-3-5-9/h1-7H,8H2

Upstream product

• 825-55-8 2-phenylthiophene 
• 598-21-0 2-Bromoacetyl bromide 
• 98-80-6 phenylboronic acid 
• 5370-25-2 2-Acetyl-5-bromothiophene 
• 1665-41-4 5-phenyl-2-acetylthiophene 

Downstream Products

• 857360-71-5 2-(dichloroacetyl-amino)-1-(5-phenyl-[2]thienyl)-ethanone 

Relevant articles and documents

Development of new highly potent imidazo[1,2-b[pyridazines targeting Toxoplasma gondii calcium-dependent protein kinase 1

Using a structure-based design approach, we have developed a new series of imidazo[1,2-b]pyridazines, targeting the calcium-dependent protein kinase-1 (CDPK1) from Toxoplasma gondii. Twenty derivatives were thus synthesized. Structure-activity relationships and docking studies confirmed the binding mode of these inhibitors within the ATP binding pocket of TgCDPK1. Two lead compounds (16a and 16f) were then identified, which were able to block TgCDPK1 enzymatic activity at low nanomolar concentrations, with a good selectivity profile against a panel of mammalian kinases. The potential of these inhibitors was confirmed in vitro on T. gondii growth, with EC50 values of 100 nM and 70 nM, respectively. These best candidates also displayed low toxicity to mammalian cells and were selected for further in vivo investigations on murine model of acute toxoplasmosis.