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

59504-75-5

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59504-75-5 Usage

Uses

Used in Organic Synthesis:
N-(bromoacetyl)methanesulfonamide is used as a reagent in organic synthesis for introducing the bromoacetyl functional group into organic compounds. Its high reactivity allows for the formation of various chemical bonds and the synthesis of a wide range of organic compounds.
Used in Industrial Water Treatment:
In the industrial water treatment industry, N-(bromoacetyl)methanesulfonamide is used as a biocide to control the growth of microorganisms and prevent biofouling in water systems. Its effectiveness in controlling microbial growth helps maintain the efficiency and longevity of water treatment systems.
Used in Research and Development:
Due to its unique chemical properties and reactivity, N-(bromoacetyl)methanesulfonamide is also used in research and development for the study of chemical reactions, synthesis of new compounds, and development of innovative applications in various fields.
It is important to handle N-(bromoacetyl)methanesulfonamide with care due to its potential toxicity and irritant properties. Proper safety measures, such as wearing protective gear and working in well-ventilated areas, should be taken to minimize exposure and ensure safe usage.

Check Digit Verification of cas no

The CAS Registry Mumber 59504-75-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,5,0 and 4 respectively; the second part has 2 digits, 7 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 59504-75:
(7*5)+(6*9)+(5*5)+(4*0)+(3*4)+(2*7)+(1*5)=145
145 % 10 = 5
So 59504-75-5 is a valid CAS Registry Number.
InChI:InChI=1/C3H6BrNO3S/c1-9(7,8)5-3(6)2-4/h2H2,1H3,(H,5,6)

59504-75-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-bromo-N-methylsulfonylacetamide

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:59504-75-5 SDS

59504-75-5Relevant academic research and scientific papers

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

Bantzi, Marina,Augsburger, Fiona,Loup, Jérémie,Berset, Yan,Vasilakaki, Sofia,Myrianthopoulos, Vassilios,Mikros, Emmanuel,Szabo, Csaba,Bochet, Christian G.

, p. 6221 - 6240 (2021/05/06)

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.

HERBICIDAL CINNOLINIUM COMPOUNDS

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Page/Page column 59, (2020/07/14)

Compounds of the formula (I) wherein the substituents are as defined in claim 1, useful as a pesticides, especially as herbicides.

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

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Page/Page column 60, (2020/08/28)

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.

HERBICIDAL COMPOUNDS

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Page/Page column 53, (2020/08/22)

Compounds of the formula (I) wherein the substituents are as defined in claim 1, useful as a pesticides, especially as herbicides.

PROSTACYCLIN RECEPTOR AGONIST

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Paragraph 0176-0178, (2020/12/22)

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.

Synthetic routes to treprostinil N-acyl methylsulfonamide

Brocchini, Steve,Clapp, Lucie H.,Laing, Peter,Picken, Christina,Shen, Lei

supporting information, (2019/12/25)

The synthesis of the prodrug candidate, treprostinil N-acyl methylsulfonamide 5 was accomplished from treprostinil 2 utilising protecting group strategies. A more direct synthesis for the prodrug was also achieved using a treprostinil triol precursor 12 and bromoacetyl acylmethylsulfonamide 14. The overall yield of treprostinil N-acyl sulfonamide 5 directly from the triol precursor 12 is similar to the protecting group strategies because deprotonation of the acidic proton in the bromoacetyl acylmethylsulfonamide 14 reduces electrophilicity. However, the more direct route using the treprostinil triol precursor holds greater promise as a strategy to prepare a wide range of treprostinil prodrug candidates. Treprostinil N-acyl methylsulfonamide prodrug 5 exhibited a 30-fold decrease in the potency at the human prostacyclin (IP) receptor compared to treprostinil 2 in an in vitro cyclic AMP assay.

CRYSTALLINE FORM VI OF SELEXIPAG

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Paragraph 00135-00136, (2018/02/28)

The present disclosure relates to solid state forms of Selexipag, processes for preparation thereof and pharmaceutical compositions thereof.

Selexipag intermediates and method for preparing selexipag

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Paragraph 0063; 0103; 0104; 0105; 0106; 0107, (2017/08/27)

The invention belongs to the field of chemical preparation, and relates to selexipag intermediates and a method for preparing selexipag. The selexipag intermediates are a compound SLP-4, a compound SLP-7, a compound SLP-8 and a compound SLP-10. The selexipag intermediates and the method have the advantages that the method for preparing the selexipag includes reasonable routes and is low in cost and operative difficulty and little in environmental pollution, raw materials are easily available, accordingly, requirements of large-scale industrial production can be met by the method, and the like.

SOLID STATE FORMS OF SELEXIPAG

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Paragraph 0095-0096, (2017/03/21)

The present disclosure relates to solid state forms of Selexipag, in particular selexipag forms IV and V, and processes for preparation thereof, pharmaceutical compositions thereof, and methods of use thereof.

PROCESSES FOR PREPARATION OF SELEXIPAG AND ITS AMORPHOUS FORM

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Page/Page column 19, (2017/03/14)

The present application relates to processes for preparation of Selexipag, its amorphous form, amorphous solid dispersion and pharmaceutical composition thereof. Formula (I):

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