91619-39-5

Basic information

• Product Name: 3-(AZEPANE-1-SULFONYL)-PHENYLAMINE
• Synonyms: BenzenaMine, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
• CAS NO: 91619-39-5
• Molecular Formula: C₁₂H₁₈N₂O₂S
• Molecular Weight: 254.34852
• Mol File: 91619-39-5.mol

Chemical Properties

• Boiling Point: 443.8 °C at 760 mmHg
• Flash Point: 222.2 °C
• Appearance: /
• Density: 1.241g/cm³
• Vapor Pressure: 4.51E-08mmHg at 25°C
• Refractive Index: 1.586
• PKA: 3.37±0.10(Predicted)
• CAS DataBase Reference: 3-(AZEPANE-1-SULFONYL)-PHENYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(AZEPANE-1-SULFONYL)-PHENYLAMINE(91619-39-5)
• EPA Substance Registry System: 3-(AZEPANE-1-SULFONYL)-PHENYLAMINE(91619-39-5)

Safety Data

• Hazardous Substances Data: 91619-39-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-(AZEPANE-1-SULFONYL)-PHENYLAMINE is used as a chemical intermediate for the development of new pharmaceutical drugs due to its unique structure and potential medicinal properties.
Used in Antitumor Applications:
In the field of oncology, 3-(AZEPANE-1-SULFONYL)-PHENYLAMINE is being investigated as a potential antitumor agent, leveraging the known properties of sulfonamides and their derivatives to target and combat cancer cells.
Used in Antiviral Applications:
3-(AZEPANE-1-SULFONYL)-PHENYLAMINE is also being explored for its potential as an antiviral agent, with the aim of developing treatments for various viral infections by inhibiting viral replication or other essential processes within the virus life cycle.

InChI:InChI=1/C12H18N2O2S/c13-11-6-5-7-12(10-11)17(15,16)14-8-3-1-2-4-9-14/h5-7,10H,1-4,8-9,13H2

Upstream product

• 121-51-7 3-nitrobenzenesulphonyl chloride 
• 111-49-9 hexamethylene imine 
• 91619-32-8 1-((3-nitrophenyl)sulfonyl)azepane 

Relevant articles and documents

Targeting of Fumarate Hydratase from Mycobacterium tuberculosis Using Allosteric Inhibitors with a Dimeric-Binding Mode

With the growing worldwide prevalence of antibiotic-resistant strains of tuberculosis (TB), new targets are urgently required for the development of treatments with novel modes of action. Fumarate hydratase (fumarase), a vulnerable component of the citric acid cycle in Mycobacterium tuberculosis (Mtb), is a metabolic target that could satisfy this unmet demand. A key challenge in the targeting of Mtb fumarase is its similarity to the human homolog, which shares an identical active site. A potential solution to this selectivity problem was previously found in a high-throughput screening hit that binds in a nonconserved allosteric site. In this work, a structure-activity relationship study was carried out with the determination of further structural biology on the lead series, affording derivatives with sub-micromolar inhibition. Further, the screening of this series against Mtb in vitro identified compounds with potent minimum inhibitory concentrations.