5434-06-0

Basic information

• Product Name: 4-METHANESULFONYL-BENZAMIDINE HCL
• Synonyms: 4-(methylsulfonyl)-benzenecarboximidamidmonohydrochloride;p-(methylsulfonyl)-benzamidinhydrochloride;p-methylsulphonylbenzamidinehydrochloride;4-METHANESULFONYL-BENZAMIDINE HCL;4-METHANESULFONYL-BENZAMIDINE HYDROCHLORIDE;4-(Methylsulfonyl)benzamidine hydrochloride
• CAS NO: 5434-06-0
• Molecular Formula: C₈H₁₀N₂O₂S*ClH
• Molecular Weight: 234.7
• EINECS: 604-604-1
• Mol File: 5434-06-0.mol

Chemical Properties

• Boiling Point: 386.3 °C at 760 mmHg
• Flash Point: 187.5 °C
• Appearance: /
• Vapor Pressure: 3.57E-06mmHg at 25°C
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 4-METHANESULFONYL-BENZAMIDINE HCL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHANESULFONYL-BENZAMIDINE HCL(5434-06-0)
• EPA Substance Registry System: 4-METHANESULFONYL-BENZAMIDINE HCL(5434-06-0)

Safety Data

• Hazardous Substances Data: 5434-06-0(Hazardous Substances Data)

Usage

Uses

Used in Biochemical Research:
4-Methanesulfonyl-benzamidine hydrochloride is used as a protease inhibitor for the study of blood coagulation and fibrinolysis, enabling researchers to better understand the mechanisms and pathways involved in these processes.
Used in Protease Purification and Characterization:
MSB is employed as a potent inhibitor in laboratories for the purification and characterization of proteases and their inhibitors, aiding in the identification and analysis of these enzymes.
Used in Drug Development:
4-Methanesulfonyl-benzamidine hydrochloride is used in the development of new therapeutic drugs targeting coagulation disorders and inflammatory conditions, providing a foundation for the creation of novel treatments and interventions.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, MSB is utilized as a key component in the formulation and testing of drugs aimed at treating various diseases related to blood coagulation and inflammation, contributing to the advancement of medical treatments and therapies.

InChI:InChI=1/C8H10N2O2S.ClH/c1-13(11,12)7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H3,9,10);1H

Upstream product

• 22821-76-7 4-(methylsulfonyl)benzonitrile 
• 21382-98-9 p-cyanophenyl methyl sulfide 
• 619-72-7 4-nitrobenzonitrile 

Downstream Products

• 875233-71-9 2-(4-methanesulfonyl-phenyl)-6-methyl-3H-pyrimidin-4-one 
• 150296-22-3 (p-(methylsulfonyl)phenyl)chlorodiazirine 

Relevant articles and documents

Reaction of arylhalodiazirines with thiophenoxide: A redox process

Phenylbromodiazirine reacts with thiophenoxide ion in methanol to give benzonitrile, benzamidine, ammonia, and diphenyl disulfide. The reaction is general for arylhalodiazirines, with electron-withdrawing groups on the aromatic ring exerting a small rate-enhancing effect. Three potential mechanisms are suggested for this redox process. These mechanisms include an N-sulfenylated diazirine, a diazirinyl radical, and a diazirinyl anion. Ring opening of these intermediates and subsequent transformations would lead to benzonitriles, benzamidine, and ammonia. A key intermediate in these transformations is PhSNH2, 32. This intermediate has been independently generated and found to rapidly convert to ammonia and diphenyl disulfide under the reaction conditions. Another proposed intermediate, N-(phenylthio)benzamidine, 38, has also been independently generated and subjected to the reaction conditions, where benzamidine and more diphenyl disulfide result. Theoretical calculations suggest the existence of isomeric diazirinyl anions. In addition to a diazirinyl ion with charge essentially on carbon, there is also an allylic-type ion with charge on the two nitrogen atoms. Single-electron reduction of a diazirinyl radical necessarily leads to a nitrogen-centered diazirinyl anion. Conversion of this anion to the carbon-centered diazirinyl anion is a forbidden process. These theoretical studies suggest that the diazirinyl anion may be a viable intermediate in solution.