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

General Description

4-(1,1-dioxidoisothiazolidin-2-yl)benzoic acid is a chemical compound with the molecular formula C10H9NO4S. It is also known by the trade name Disulfiram, and is used as a medication to help treat chronic alcoholism by causing unpleasant effects such as nausea, vomiting, and flushing when alcohol is consumed. 4-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)BENZOIC ACID works by inhibiting the enzyme aldehyde dehydrogenase, which is involved in the metabolism of alcohol, leading to the accumulation of acetaldehyde in the body. Acetaldehyde buildup results in the unpleasant symptoms, which serves as a deterrent for individuals to continue drinking alcohol. Overall, 4-(1,1-dioxidoisothiazolidin-2-yl)benzoic acid is a pharmacological tool that can be used to support individuals in their efforts to maintain sobriety.

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

• 150-13-0 4-amino-benzoic acid 
• 1609356-19-5 tert-butyl 4-(1,1-dioxidoisothiazolidin-2-yl)benzoate 
• 1609356-35-5 tert-butyl 4-(3-chloropropylsulfonamido)benzoate 
• 18144-47-3 tert-butyl 4-aminobenzoate 
• 1633-82-5 3-chloro-n-propanesulfonyl chloride 
• 94-09-7 p-aminoethylbenzoate 
• 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 

Downstream Products

• 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 
• 1346115-31-8 [4-(2,4-dimethylphenyl)-[1,4]diazepan-1-yl][4-(1,1-dioxo-1λ⁶-isothiazolidin-2-yl)phenyl]methanone 
• 1346115-10-3 [4-(1,1-dioxo-1λ⁶-isothiazolidin-2-yl)phenyl][4-(4-methylbenzoyl)piperidin-1-yl]methanone 

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