52962-52-4

Basic information

• Product Name: 4-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)BENZOIC ACID
• Synonyms: 4-(1,1-diketo-1,2-thiazolidin-2-yl)benzoic acid;4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid;Benzoic acid, 4-(1,1-dioxido-2-isothiazolidinyl)-
• CAS NO: 52962-52-4
• Molecular Formula: C₁₀H₁₁NO₄S
• Molecular Weight: 241.27
• Mol File: 52962-52-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 465.3 °C at 760 mmHg
• Flash Point: 235.2 °C
• Appearance: /
• Density: 1.479g/cm³
• Vapor Pressure: 1.86E-09mmHg at 25°C
• Refractive Index: 1.624
• CAS DataBase Reference: 4-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)BENZOIC ACID(52962-52-4)
• EPA Substance Registry System: 4-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)BENZOIC ACID(52962-52-4)

Safety Data

• Hazardous Substances Data: 52962-52-4(Hazardous Substances Data)

Usage

Description

4-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)BENZOIC ACID, also known as Disulfiram, is a chemical compound with the molecular formula C10H9NO4S. It is a pharmacological tool used to support individuals in their efforts to maintain sobriety.
Used in Pharmaceutical Industry:
4-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)BENZOIC ACID is used as a medication for treating chronic alcoholism. It works by inhibiting the enzyme aldehyde dehydrogenase, which is involved in the metabolism of alcohol, leading to the accumulation of acetaldehyde in the body. The acetaldehyde buildup results in unpleasant symptoms such as nausea, vomiting, and flushing, which serve as a deterrent for individuals to continue drinking alcohol.

InChI:InChI=1/C10H11NO4S/c12-10(13)8-2-4-9(5-3-8)11-6-1-7-16(11,14)15/h2-5H,1,6-7H2,(H,12,13)

Upstream product

• 1609356-35-5 tert-butyl 4-(3-chloropropylsulfonamido)benzoate 
• 18144-47-3 tert-butyl 4-aminobenzoate 
• 1609356-19-5 tert-butyl 4-(1,1-dioxidoisothiazolidin-2-yl)benzoate 
• 150-13-0 4-amino-benzoic acid 
• 619-45-4 4-methoxycarbonyl aniline 
• 131696-59-8 4-(3-sulfo-propylamino)-benzoic acid methyl ester 
• 131696-66-7 4-(1,1-dioxo-1λ6-isothiazolidin-2-yl)-benzoic acid methyl ester 
• 52962-49-9 4-(3-sulfo-propylamino)-benzoic acid 
• 1633-82-5 3-chloro-n-propanesulfonyl chloride 
• 94-09-7 p-aminoethylbenzoate 

Downstream Products

• 1346115-10-3 [4-(1,1-dioxo-1λ⁶-isothiazolidin-2-yl)phenyl][4-(4-methylbenzoyl)piperidin-1-yl]methanone 
• 1346115-31-8 [4-(2,4-dimethylphenyl)-[1,4]diazepan-1-yl][4-(1,1-dioxo-1λ⁶-isothiazolidin-2-yl)phenyl]methanone 
• 1609355-60-3 C₂₃H₁₉Cl₂N₃O₄S 
• 1609355-69-2 C₂₂H₁₈Cl₂N₂O₄S 
• 1609355-18-1 C₂₅H₂₀ClN₃O₃S 
• 1609355-19-2 C₂₄H₁₉ClN₄O₃S 
• 1609355-20-5 C₂₄H₁₉ClN₄O₃S 
• 1609355-21-6 C₂₄H₁₉ClN₄O₃S 
• 1364524-43-5 4-(1,1-dioxidoisothiazolidin-2-yl)benzoyl chloride 
• 1609355-17-0 C₂₅H₂₀ClN₃O₃S 

Relevant articles and documents

CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY

The invention relates generally to the creation and use of cyclic sulfonamide containing derivatives to inhibit the hedgehog signaling pathway and to the use of those compounds for the treatment of hyperproliferative diseases and angiogenesis mediated diseases.

SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa

In the search of Factor Xa (FXa) inhibitors structurally different from the pyrazole-based series, we identified a viable series of enantiopure cis-(1R,2S)-cycloalkyldiamine derivatives as potent and selective inhibitors of FXa. Among them, cyclohexyldiam