28547-15-1

Basic information

• Product Name: 3-BENZENESULFONYLAMINOBENZOIC ACID
• Synonyms: 3-BENZENESULFONYLAMINOBENZOIC ACID;3-[(PHENYLSULFONYL)AMINO]BENZOIC ACID
• CAS NO: 28547-15-1
• Molecular Formula: C₁₃H₁₁NO₄S
• Molecular Weight: 277.3
• Mol File: 28547-15-1.mol
• Article Data: 9

Chemical Properties

• Melting Point: 203-204 °C
• Boiling Point: 492.3 °C at 760 mmHg
• Flash Point: 251.5 °C
• Appearance: /
• Density: 1.451 g/cm³
• Vapor Pressure: 1.65E-10mmHg at 25°C
• Refractive Index: 1.656
• PKA: 4.04±0.10(Predicted)
• CAS DataBase Reference: 3-BENZENESULFONYLAMINOBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BENZENESULFONYLAMINOBENZOIC ACID(28547-15-1)
• EPA Substance Registry System: 3-BENZENESULFONYLAMINOBENZOIC ACID(28547-15-1)

Safety Data

• Hazardous Substances Data: 28547-15-1(Hazardous Substances Data)

Usage

Description

3-Benzenesulfonylaminobenzoic acid is an organic compound with the molecular formula C13H11NO4S. It is characterized by its benzene ring structure, which is connected to a sulfonyl group and an amino group. 3-BENZENESULFONYLAMINOBENZOIC ACID has potential applications in various industries due to its unique chemical properties.

Uses

Used in Pharmaceutical Industry:
3-Benzenesulfonylaminobenzoic acid is used as an inhibitor of glycerol 3-phosphate acyltransferase (GPAT) for the development of novel therapeutic agents. GPAT is an enzyme involved in the synthesis of glycerolipids, which are essential components of cell membranes and energy storage molecules. Inhibiting GPAT can have potential applications in the treatment of various diseases, such as obesity and type 2 diabetes, by modulating lipid metabolism.
Used in Research and Development:
3-Benzenesulfonylaminobenzoic acid can be utilized as a chemical probe in the study of GPAT enzyme function and its role in lipid metabolism. 3-BENZENESULFONYLAMINOBENZOIC ACID can help researchers understand the molecular mechanisms underlying GPAT inhibition and its potential therapeutic implications.
Used in Drug Design and Synthesis:
The unique chemical structure of 3-benzenesulfonylaminobenzoic acid makes it a valuable starting material for the design and synthesis of new drugs targeting GPAT and other related enzymes. By modifying its structure, chemists can potentially develop more potent and selective inhibitors with improved pharmacological properties.

InChI:InChI=1/C13H11NO4S/c15-13(16)10-5-4-6-11(9-10)14-19(17,18)12-7-2-1-3-8-12/h1-9,14H,(H,15,16)

Upstream product

• 99-05-8 meta-aminobenzoic acid 
• 98-09-9 benzenesulfonyl chloride 
• 4518-10-9 Methyl 3-aminobenzoate 
• 107922-46-3 methyl 3-(phenylsulfonamido)benzoate 
• 121-92-6 3-nitrobenzoic acid 
• 98-80-6 phenylboronic acid 

Downstream Products

• 1253738-63-4 N-[5-[acetyl(methyl)amino]-1-(1-methylethyl)-1H-benzimidazol-2-yl]-3-[(phenylsulfonyl)amino]benzamide 
• 1253738-67-8 N-{5-[acetyl(methyl)amino]-1-butyl-1H-benzimidazol-2-yl}-3-[(phenylsulfonyl)amino]benzamide 
• 1253738-69-0 N-{5-[acetyl(methyl)amino]-1-phenyl-1H-benzimidazol-2-yl}-3-[(phenylsulfonyl)amino]benzamide 
• 1253738-75-8 ethyl 3-{5-[acetyl(methyl)amino]-2-[({3-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]-1H-benzimidazol-1-yl}propanoate 
• 1253738-88-3 1,1-dimethylethyl 2-[({3-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]-1-propyl-1H-benzimidazole-5-carboxylate 
• 1253736-90-1 N-[1-(3-hydroxypropyl)-1H-benzimidazol-2-yl]-3-[(phenylsulfonyl)amino]benzamide 
• 1253736-97-8 1,1-dimethylethyl {2-[({3-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]-1-propyl-1H-benzimidazol-5-yl}carbamate 
• 1253737-02-8 1,1-dimethylethyl methyl{2-[({3-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]-1-propyl-1H-benzimidazol-5-yl}carbamate 

Relevant articles and documents

Sequential C-S and S-N Coupling Approach to Sulfonamides

A one-pot three-component reaction involving nitroarenes, (hetero)arylboronic acids, and potassium pyrosulfite leading to sulfonamides was described. A broad range of sulfonamides bearing different reactive functional groups were obtained in good to excellent yields through sequential C-S and S-N coupling that does not require metal catalysts.

Design, synthesis and biological activity of N-(3-substituted-phenyl)benzenesulfonamides as selective and reversible LSD1 inhibitors

Lysine specific demethylase 1?plays a crucial role in regulating histone methylation at residues K4 and K9 on histone H3 and over-expresses in a variety of cancers. Here we designed, synthesized and evaluated a series of N-(3-substituted-phenyl)benzenesul

NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF USE FOR SAME, AND METHODS FOR PREPARING SAME

The present invention relates to a novel class of compounds comprising formula I, wherein n is 0 or 1. A is NR1, O, or S, wherein R1 is H, hydroxyl, C1-C10 alkyl, C1-C10 alkoxy, alkenyl, aryl, alkylaryl or arylalkyl. X is a carboxylate, a phosphonate, or a phosphate residue, or a C1-C10 alkyl residue optionally substituted with a carboxylate, phosphonate or phosphate residue. Y is a C1-C20 alkyl, alkenyl, halide, hydroxyl, C1-C20 alkoxy, aryl, alkylaryl, arylalkyl, cycloalkyl, cycloalkenyl, or a heterocyclic ring and is optionally substituted with one or more halides. Z is a H, a hydroxyl group, a halide, an aryl group, an alkylaryl group, an arylalkyl group, a cycloalkyl group, a cycloalkenyl group or a heterocyclic ring and is optionally substituted with one or more C1-C10 alkyl groups, C1-C10alkoxy groups, hydroxyl groups, cyano groups, carboxylate groups, halides, aryl groups, alkylaryl groups, arylalkyl groups, cycloalkyl groups, cycloalkenyl groups or heterocyclic rings.