59504-75-5

Basic information

• Product Name: N-(bromoacetyl)methanesulfonamide
• Synonyms: N-(bromoacetyl)methanesulfonamide;2-bromo-N-methylsulfonylacetamide
• CAS NO: 59504-75-5
• Molecular Formula: C₃H₆BrNO₃S
• Molecular Weight: 216.05364
• EINECS: -0
• Mol File: 59504-75-5.mol
• Article Data: 14

Chemical Properties

• Melting Point: 110 °C(Solv: benzene (71-43-2))
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.827g/cm³
• Refractive Index: 1.525
• PKA: 3.34±0.40(Predicted)
• CAS DataBase Reference: N-(bromoacetyl)methanesulfonamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-(bromoacetyl)methanesulfonamide(59504-75-5)
• EPA Substance Registry System: N-(bromoacetyl)methanesulfonamide(59504-75-5)

Safety Data

• Hazardous Substances Data: 59504-75-5(Hazardous Substances Data)

Usage

General Description

N-(bromoacetyl)methanesulfonamide is a chemical compound with the molecular formula C3H5BrN2O3S. It is a white to off-white crystalline solid that is used as a reagent in organic synthesis and as a biocide in industrial water treatment. It is also known by the trade name Cacodyl bromide and is a derivative of methanesulfonamide. N-(bromoacetyl)methanesulfonamide is highly reactive and is primarily used to introduce the bromoacetyl functional group into organic compounds. It is a potent alkylating agent and can be toxic if ingested or inhaled, and can also cause skin and eye irritation upon contact.

InChI:InChI=1/C3H6BrNO3S/c1-9(7,8)5-3(6)2-4/h2H2,1H3,(H,5,6)

Upstream product

• 3144-09-0 methanesulfonamide 
• 598-21-0 2-Bromoacetyl bromide 

Downstream Products

• 1048660-96-3 2-(1-benzyl-2-isobutyl-1H-indol-4-yloxy)-N-(methylsulfonyl)acetamide 
• 1151654-71-5 C₅₀H₄₄F₆N₁₀O₇S 
• 475086-01-2 Selexipag 

Relevant articles and documents

Novel Aryl-Substituted Pyrimidones as Inhibitors of 3-Mercaptopyruvate Sulfurtransferase with Antiproliferative Efficacy in Colon Cancer

The enzyme 3-mercaptopyruvate sulfurtransferase (3-MST) is one of the more recently identified mammalian sources of H2S. A recent study identified several novel 3-MST inhibitors with micromolar potency. Among those, (2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-1-(naphthalen-1-yl)ethan-1-one) or HMPSNE was found to be the most potent and selective. We now took the central core of this compound and modified the pyrimidone and the arylketone sides independently. A 63-compound library was synthesized; compounds were tested for H2S generation from recombinant 3-MST in vitro. Active compounds were subsequently tested to elucidate their potency and selectivity. Computer modeling studies have delineated some of the key structural features necessary for binding to the 3-MST's active site. Six novel 3-MST inhibitors were tested in cell-based assays: they exerted inhibitory effects in murine MC38 and CT26 colon cancer cell proliferation; the antiproliferative effect of the compound with the highest potency and best cell-based activity (1b) was also confirmed on the growth of MC38 tumors in mice.

CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH

The present invention relates to herbicidally active cinnolinium derivatives of formula (I), as well as to processes and intermediates used for the preparation of such derivatives. The invention further extends to herbicidal compositions comprising such derivatives, as well as to the use of such compounds and compositions in controlling undesirable plant growth: in particular the use in controlling weeds, in crops of useful plants.

PROSTACYCLIN RECEPTOR AGONIST

A compound represented by formula (I) or an isomer or a pharmaceutically acceptable salt thereof. The present invention also relates to an application of the same in preparing a drug for treating a disease related to a PGI2 receptor.