404-52-4

Basic information

• Product Name: U 19963
• Synonyms: U 19963
• CAS NO: 404-52-4
• Molecular Formula: C₁₃H₁₀F₂N₂S
• Molecular Weight: 264.2937064
• EINECS: -0
• Mol File: 404-52-4.mol
• Article Data: 13

Chemical Properties

• Melting Point: 145 °C
• Boiling Point: 345.2°C at 760 mmHg
• Flash Point: 162.6°C
• Appearance: /
• Density: 1.419g/cm³
• Vapor Pressure: 6.25E-05mmHg at 25°C
• Refractive Index: 1.704
• PKA: 11.85±0.70(Predicted)
• CAS DataBase Reference: U 19963(CAS DataBase Reference)
• NIST Chemistry Reference: U 19963(404-52-4)
• EPA Substance Registry System: U 19963(404-52-4)

Safety Data

• Hazardous Substances Data: 404-52-4(Hazardous Substances Data)

Usage

General Description

U 19963, also known as 4-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-yl)thiazole, is a chemical compound that belongs to the group of thiazole derivatives. It is a potent and selective antagonist of the quinolinic acid receptor, and it has been studied for its potential in the treatment of neurological disorders such as Parkinson's disease and epilepsy. U 19963 has shown to have neuroprotective effects and anti-seizure activity in preclinical studies, making it a promising candidate for further research and development in the field of neuropharmacology. Additionally, it has also been investigated for its potential use in the treatment of anxiety and depression, showing promising results in animal models.

InChI:InChI=1/C13H10F2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)

Upstream product

• 1544-68-9 4-fluorophenyl isothiocyanate 
• 371-40-4 4-fluoroaniline 
• 75-15-0 carbon disulfide 

Downstream Products

• 10018-32-3 N-(4-fluoro-phenyl)-oxalomonoimidic acid-(4-fluoro-anilide)-nitrile 
• 348-41-4 6-fluoro-N-(4-fluorophenyl)benzo[d]thiazol-2-amine 
• 351-74-6 bis(4-fluorophenyl)methanediimine 
• 146680-56-0 N,N’-bis(4’-fluorophenyl)imidazolidine-2-thione-4,5-dione 
• 678562-00-0 4-{5-[3-(4-Fluoro-phenyl)-2-[(Z)-4-fluoro-phenylimino]-4-oxo-thiazolidin-(5E)-ylidenemethyl]-furan-2-yl}-benzoic acid 
• 51964-15-9 3-(4-fluorophenyl)-2-(4-fluorophenylimino)-1,3-thiazolidine-4-one 
• 1352834-05-9 4-[3-(4-fluorophenyl)-2-(4-fluorophenylimino)-4-oxothiazolidin-5-ylidenemethyl]benzoic acid 
• 1434158-93-6 N,4-bis(4-fluorophenyl)-4H-1,2,4-triazol-3-amine 
• 1434158-86-7 N,1-bis(4-fluorophenyl)-1H-tetrazol-5-amine 
• 350-11-8 N-(4-fluoro-phenyl)-2-thio-oxalomonoimidic acid-1-(4-fluoro-anilid)-2-amide 
• 366-11-0 N-(2,5-dimethoxy-phenyl)-N'-(4-fluoro-phenyl)-thiourea 
• 351-89-3 N-(4-dimethylamino-phenyl)-N'-(4-fluoro-phenyl)-thiourea 
• 391-71-9 N-(4-fluoro-phenyl)-N'-[1]naphthyl-thiourea 
• 368-02-5 N-(2,4-dimethylphenyl)-N’-(4-fluorophenyl)thiourea 

Relevant articles and documents

Di-tert-butyl peroxide (DTBP)-mediated synthesis of symmetrical N,N′-disubstituted urea/thiourea motifs from isothiocyanates in water

ABATRACT: A direct approach to N,N′-disubstituted urea/thiourea from the self-condensation reactions of isothiocyanates in water has been developed. This access tolerated a wide range of functional groups on the aromatic ring, providing a practical and environment-friendly process to N,N′-disubstituted urea/thiourea in moderate to excellent yields from safe and easily available starting materials. A plausible mechanism of the desulfurization self-condensation reaction for urea was also proposed and the role of di-tert-butyl peroxide (DTBP) and copper catalyst in the present strategy was demonstrated with the help of ESI mass spectrometry of intermediate studies.

Novel non-peptidic small molecule inhibitors of secreted aspartic protease 2 (SAP2) for the treatment of resistant fungal infections

Targeting secreted aspartic protease 2 (SAP2), a kind of virulence factor, represents a new strategy for antifungal drug discovery. In this report, the first-generation of small molecule SAP2 inhibitors was rationally designed and optimized using a structure-based approach. In particular, inhibitor 23h was highly potent and selective and showed good antifungal potency for the treatment of resistant Candida albicans infections.

Nickle Catalysis Enables Access to Thiazolidines from Thioureas via Oxidative Double Isocyanide Insertion Reactions

An efficient synthesis of thiazolidine-2,4,5-triimine derivatives was developed via Ni-catalyzed oxidative double isocyanide insertion to thioureas under air conditions, in which thioureas play three roles as a substrate, a ligand, and overcoming isocyanide polymerization. The reaction is featured by employing a low-cost and low loading Ni(acac)2 catalyst, without any additives, and high atom economy. This is the first example to directly apply a Ni(II) catalyst in oxidative double isocyanide insertion reactions.