59210-61-6

Basic information

• Product Name: 4-CHLORO-3-[(DIMETHYLAMINO)SULFONYL]BENZOIC ACID
• Synonyms: 4-chloro-3-(N,N-dimethylsulfamoyl)benzoic acid;4-chloro-3-(dimethylsulfamoyl)benzoate
• CAS NO: 59210-61-6
• Molecular Formula: C₉H₁₀ClNO₄S
• Molecular Weight: 263.7
• Mol File: 59210-61-6.mol

Chemical Properties

• Boiling Point: 446°C at 760 mmHg
• Flash Point: 223.5°C
• Appearance: /
• Density: 1.469g/cm³
• Vapor Pressure: 9.75E-09mmHg at 25°C
• Refractive Index: 1.581
• CAS DataBase Reference: 4-CHLORO-3-[(DIMETHYLAMINO)SULFONYL]BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-3-[(DIMETHYLAMINO)SULFONYL]BENZOIC ACID(59210-61-6)
• EPA Substance Registry System: 4-CHLORO-3-[(DIMETHYLAMINO)SULFONYL]BENZOIC ACID(59210-61-6)

Safety Data

• Hazardous Substances Data: 59210-61-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H10ClNO4S/c1-11(2)16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13)

Upstream product

• 2494-79-3 4-chloro-3-(chlorosulfonyl)benzoic acid 
• 124-40-3 dimethyl amine 
• 74-11-3 para-chlorobenzoic acid 

Downstream Products

• 59210-34-3 3-dimethylsulfamoyl-4-piperazin-1-yl-benzoic acid 
• 59210-24-1 3-dimethylsulfamoyl-4-(4-methylpiperazine-1-yl)-benzoic acid-hydrochloride 
• 59816-06-7 4-Chloro-3-dimethylsulfamoylbenzoyl chloride 

Relevant articles and documents

Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors

Glutathione transferase omega-1 (GSTO1-1) is an enzyme whose function supports the activation of interleukin (IL)-1β and IL-18 that are implicated in a variety of inflammatory disease states for which small-molecule inhibitors are sought. The potent reactivity of the active-site cysteine has resulted in reported inhibitors that act by covalent labeling. In this study, structure-activity relationship (SAR) elaboration of the reported GSTO1-1 inhibitor C1-27 was undertaken. Compounds were evaluated for inhibitory activity toward purified recombinant GSTO1-1 and for indicators of target engagement in cell-based assays. As covalent inhibitors, the kinact/KI values of selected compounds were determined, as well as in vivo pharmacokinetics analysis. Cocrystal structures of key novel compounds in complex with GSTO1-1 were also solved. This study represents the first application of a biochemical assay for GSTO1-1 to determine kinact/KI values for tested inhibitors and the most extensive set of cell-based data for a GSTO1-1 inhibitor SAR series reported to date. Our research culminated in the discovery of 25, which we propose as the preferred biochemical tool to interrogate cellular responses to GSTO1-1 inhibition.

CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS

The present invention relates to compounds of formula (I) or pharmaceutically acceptable derivatives thereof, useful in the treatment or prophylaxis of CCR5-related diseases and disorders, for example, in the inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS).