226396-31-2

Basic information

• Product Name: (4-METHYLAMINOSULPHONYL)BENZENE BORONIC ACID
• Synonyms: 4-METHYLAMINOSULFONYLPHENYLBORONIC ACID;(4-METHYLAMINOSULPHONYL)BENZENE BORONIC ACID;4-METHYLSULFAMOYLPHENYLBORONIC ACID;METHYL 4-BORONOBENZENESULFONAMIDE;4-(Methylaminosulphonyl)benzene boronic acid 97%;4-MethylsulfaMoylbenzeneboronic acid, 97%;(4-(N-MethylsulfaMoyl)phenyl)boronic acid;4-[(Methylamino)sulphonyl]benzeneboronicacid97%
• CAS NO: 226396-31-2
• Molecular Formula: C₇H₁₀BNO₄S
• Molecular Weight: 215.03
• Product Categories: blocks;BoronicAcids;Sulfonamides;Boronate Ester;Boronic Acid;Potassium Trifluoroborate
• Mol File: 226396-31-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: 136-140
• Boiling Point: 418.9 °C at 760 mmHg
• Flash Point: 207.1 °C
• Appearance: /
• Density: 1.42 g/cm³
• Vapor Pressure: 9.14E-08mmHg at 25°C
• Refractive Index: 1.582
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: (4-METHYLAMINOSULPHONYL)BENZENE BORONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (4-METHYLAMINOSULPHONYL)BENZENE BORONIC ACID(226396-31-2)
• EPA Substance Registry System: (4-METHYLAMINOSULPHONYL)BENZENE BORONIC ACID(226396-31-2)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• Hazardous Substances Data: 226396-31-2(Hazardous Substances Data)

Usage

General Description

"(4-Methylaminosulphonyl)benzene boronic acid" is a chemical compound with the formula C7H10BNO4S. It is a boronic acid derivative with a sulfonylamino-organoboron structure. (4-METHYLAMINOSULPHONYL)BENZENE BORONIC ACID is often used as a reagent in organic synthesis and medicinal chemistry. It is a versatile building block for the preparation of pharmaceuticals, agrochemicals, and materials. The presence of the boronic acid functional group allows for the formation of stable covalent bonds with other molecules, making it a valuable tool for the development of new chemical entities with various applications.

InChI:InChI=1/C7H10BNO4S/c1-9-14(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3

Upstream product

• 5419-55-6 Triisopropyl borate 
• 703-12-8 4-bromo-N-methylbenzenesulphonamide 
• 98-58-8 4-bromobenzenesulfonyl chloride 

Downstream Products

• 68502-14-7 C₁₂H₁₁NO₄S 
• 1092499-01-8 N-methyl-4-[3-(3,4,5-trimethoxy-phenyl)-quinoxalin-5-yl]-benzenesulfonamide 
• 1234702-41-0 N-methyl-4-(6,7,8,9-tetrahydro-5H-dipyrido[2,3-b;3',4'-d]pyrrol-4-yl)-benzenesulfonamide 
• 936727-91-2 tert-butyl 6-(4-(N-methylsulfamoyl)phenyl)pyridin-2-ylcarbamate 

Relevant articles and documents

Design and synthesis of 1H-pyrazolo[3,4-b]pyridines targeting mitogen-activated protein kinase kinase 4 (MKK4) - A promising target for liver regeneration

Currently, the therapeutic options for treatment of liver failure are very limited. As mitogen-activated protein kinase kinase 4 (MKK4) has recently been identified by in vivo RNAi experiments to be a major regulator in hepatocyte regeneration, we pursued the development of a small molecule targeting this protein kinase. Starting from the approved BRAFV600E inhibitor vemurafenib (8), that showed a high off-target affinity to MKK4 in an initial screening, we followed a scaffold-hopping approach, changing the core heterocycle from 1H-pyrrolo[2,3-b]pyridine to 1H-pyrazolo[2,3-b]pyridine (10). Affinity to MKK4 could be conserved while the selectivity against off-target protein kinases was slightly improved. Further modifications led to 58 and 59 showing high affinity to MKK4 in the low nanomolar range and excellent selectivity profile from mandatory multiparameter-optimization for the essential anti-targets (MKK7, JNK1) and off-targets (BRAF, MAP4K5, ZAK) in the MKK4 pathway. Herein we report the first selective MKK4 inhibitors in this class.

HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS

Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette ("ABC") transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator ("CFTR"). T