63734-76-9

Basic information

• Product Name: 1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE
• Synonyms: TPSNI;1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE;4-Nitro-1-[[2,4,6-tris(isopropyl)phenyl]sulfonyl]-1H-imidazole
• CAS NO: 63734-76-9
• Molecular Formula: C₁₈H₂₅N₃O₄S
• Molecular Weight: 379.47
• Mol File: 63734-76-9.mol
• Article Data: 1

Chemical Properties

• Melting Point: 157-159 °C (sealed tube)
• Boiling Point: 510.4°C at 760 mmHg
• Flash Point: 262.5°C
• Appearance: /
• Density: 1.25
• Vapor Pressure: 1.55E-10mmHg at 25°C
• Refractive Index: 1.59
• Storage Temp.: −20°C
• CAS DataBase Reference: 1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE(63734-76-9)
• EPA Substance Registry System: 1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE(63734-76-9)

Safety Data

• Safety Statements: 22-24/25
• WGK Germany: 3
• F: 10
• Hazardous Substances Data: 63734-76-9(Hazardous Substances Data)

Usage

Description

1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE, also known as TIBS-NI, is a chemical compound that is commonly used as a fluorescent reagent for the detection of certain biological molecules. It is a yellow crystalline solid that is insoluble in water but soluble in organic solvents. TIBS-NI is known for its high stability and ability to emit strong fluorescence under ultraviolet light, making it a valuable tool in various scientific applications.

Uses

Used in Bioanalytical and Biophysical Studies:
1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE is used as a fluorescent reagent for the detection of specific biological molecules due to its high stability and strong fluorescence under ultraviolet light. This property makes it a valuable tool in bioanalytical and biophysical research, where the detection and analysis of target molecules are crucial.
Used in Cancer Research:
1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE is used as a research compound in cancer studies. Its potential applications in this field are currently being investigated, with a focus on understanding its interactions with biological molecules and its possible role in the development of new cancer therapies.
Used in Photodynamic Therapy:
1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-4-NITROIMIDAZOLE is also being explored for its potential use in photodynamic therapy. This medical treatment involves the use of a light-sensitive drug, which, when activated by a specific wavelength of light, becomes toxic to nearby cancer cells. TIBS-NI's strong fluorescence and solubility in organic solvents make it a promising candidate for further research in this area.

InChI:InChI=1/C18H25N3O4S/c1-11(2)14-7-15(12(3)4)18(16(8-14)13(5)6)26(24,25)20-9-17(19-10-20)21(22)23/h7-13H,1-6H3

Upstream product

• 6553-96-4 2,4,6-triisopropylphenylsulfonyl chloride 
• 3034-38-6 1H-4⁽⁵⁾-nitroimidazole 

Relevant articles and documents

Reactions of 1-Arenesulfonyl-4-nitroimidazoles with Aniline in Aqueous Methanol Solution

Several 1-arenesulfonyl-4-nitroimidazoles were obtained and reacted with aniline in methanol-water medium at 65-70 deg C to yield mixtures of 1-arenesulfonylamide, 1-arenesulfonylanilide, 4-nitro-1-phenylimidazole and 4(5)-nitroimidazole in varied proportions depending on the arenesulfonyl group. - Key words: 1-arenesulfonyl-4-nitroimidazoles, nucleophilic substitution, imidazole ring transformation