4100-13-4

Basic information

• Product Name: 1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID
• Synonyms: BUTTPARK 30\06-44;1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID;4-CARBOXY-1,2,3-THIADIAZOLE;RARECHEM AL BE 0508;1,2,3-Thiadiazole-4-carboxylic acid ,98%;4-thiadiazolecarboxylic acid;thiadiazole-4-carboxylic acid;1,2,3-Thiadiazole-4-Carboxylic Acid(WX613780)
• CAS NO: 4100-13-4
• Molecular Formula: C₃H₂N₂O₂S
• Molecular Weight: 130.13
• Product Categories: Sulphur Derivatives
• Mol File: 4100-13-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: 224 °C
• Boiling Point: 322.3 °C at 760 mmHg
• Flash Point: 148.7 °C
• Appearance: /
• Density: 1.67 g/cm³
• Vapor Pressure: 0.000117mmHg at 25°C
• Storage Temp.: 2-8°C
• PKA: 2.79±0.10(Predicted)
• Water Solubility: Slightly soluble in water.
• BRN: 113707
• CAS DataBase Reference: 1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID(4100-13-4)
• EPA Substance Registry System: 1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID(4100-13-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 4100-13-4(Hazardous Substances Data)

Usage

Chemical Properties

Off-white to light yellow solid

Uses

It is used as an active pharmaceutical intermediate.

InChI:InChI=1/C3H2N2O2S/c6-3(7)2-1-8-5-4-2/h1H,(H,6,7)/p-1

Upstream product

• 7719-09-7 thionyl chloride 
• 58792-16-8 2-ethoxycarbonylhydrazono-propionic acid 
• 3989-36-4 ethyl 4-(1,2,3-thiodiazole)carboxylate 

Downstream Products

• 3989-35-3 methyl 1,2,3-thiadiazole-4-carboxylate 
• 3989-36-4 ethyl 4-(1,2,3-thiodiazole)carboxylate 
• 58603-93-3 [1,2,3]thiadiazole-4-carboxylic acid 2-(1-sulfamoyl-piperidin-4-yl)-ethylamide 
• 18212-34-5 ethylsulfanyl-propiolic acid 
• 4100-20-3 1,2,3-thiadiazole-4-carboxamide 
• 288-48-2 1,2,3-thiadiazole 
• 1093255-42-5 N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-1,2,3-thiadiazole-4-carboxamide 
• 1276676-42-6 1-(2,2-dimethylpropyl)-3-methyl-5-[(1S,4S)-5-(1,2,3-thiadiazol-4-ylcarbonyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one 
• 1134816-55-9 N-[[3-[8-methyl-5-(methylamino)-8H-imidazo[4,5-d]thiazolo[5,4-b]-pyridine-2-yl]phenyl]methyl]-1,2,3-thiadiazole-5-amide 
• 637336-45-9 [1,2,3]Thiadiazole-4-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide 

Relevant articles and documents

Inhibition of Nonessential Bacterial Targets: Discovery of a Novel Serine O-Acetyltransferase Inhibitor

In ?-proteobacteria and Actinomycetales, cysteine biosynthetic enzymes are indispensable during persistence and become dispensable during growth or acute infection. The biosynthetic machinery required to convert inorganic sulfur into cysteine is absent in mammals; therefore, it is a suitable drug target. We searched for inhibitors of Salmonella serine acetyltransferase (SAT), the enzyme that catalyzes the rate-limiting step of l-cysteine biosynthesis. The virtual screening of three ChemDiv focused libraries containing 91 ?243 compounds was performed to identify potential SAT inhibitors. Scaffold similarity and the analysis of the overall physicochemical properties allowed the selection of 73 compounds that were purchased and evaluated on the recombinant enzyme. Six compounds displaying an IC50 a Gram-negative model organism, with one of them being able to interfere with bacterial growth via SAT inhibition.