87812-16-6

Basic information

• Product Name: {[4-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid
• CAS NO: 87812-16-6
• Molecular Formula: C₁₈H₁₂FN₃O₂S₂
• Molecular Weight: 385.4352
• Mol File: 87812-16-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 639.2°C at 760 mmHg
• Flash Point: 340.4°C
• Density: 1.51g/cm³
• Vapor Pressure: 3.24E-17mmHg at 25°C
• Refractive Index: 1.737
• CAS DataBase Reference: {[4-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: {[4-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid(87812-16-6)
• EPA Substance Registry System: {[4-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid(87812-16-6)

Safety Data

• Hazardous Substances Data: 87812-16-6(Hazardous Substances Data)

Usage

General Description

The chemical compound {[4-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid is a complex molecule that contains a benzothiazole, fluorophenyl, imidazole, and acetic acid moieties. It is a sulfanylacetic acid derivative with potential antineoplastic and antiangiogenic activities. {[4-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid may inhibit the proliferation of endothelial cells, which are important for the formation of new blood vessels, thus making it a potential drug candidate for cancer treatment. The specific mechanism of action and biological activity of this compound are still under investigation.

Upstream product

• 87812-12-2 [4-Benzothiazol-2-yl-1-(4-fluoro-phenyl)-1H-imidazol-2-ylsulfanyl]-acetic acid ethyl ester 
• 54223-20-0 1-(benzo[d]thiazol-2-yl)-2-bromoethanone 
• 87811-94-7 1-Benzothiazol-2-yl-2-(4-fluoro-phenylamino)-ethanone 
• 87812-03-1 4-Benzothiazol-2-yl-1-(4-fluoro-phenyl)-1H-imidazole-2-thiol 
• 371-40-4 4-fluoroaniline 

Relevant articles and documents

Synthesis of Some 2-Mercaptoimidazole Derivatives as Potential Antiinflammatory Agents

A number of 2-mercaptoimidazoles belonging to the series 1-aryl-4-(2'-benzothiazolyl)-2-mercaptoimidazoles (I) and 1-aryl-4-(4'-carbethxy/carboxymethylphenyl)-2-mercaptoimidazoles (IV, V) and their derivatives (II, III, VI) have been synthesized. 2-Benzothiazolyl bromomethyl ketone on treatment with anilines gives the intermediate aminoketones (IX) which are converted into mercaptoimidazoles (I) by the action of KSCN.The latter on treatment with ethyl bromoacetate give the esters (II) which are hydrolyzed to the corresponding acids (III).Similarly, ethyl(4-ω-bromoactyl)phenylacetate on reaction with anilines followed by treatment of the intermediate aminoketones (XI) with KSCN gives mercaptoimidazoles of the type IV.Hydrolysis of IV furnish the corresponding acids (V).Esters (IV) when treated with alkyl halides in the presence of alkali give the corresponding alkylmercapto derivatives (VI) of V.Several compounds af the series I, III and V possessing a carboxymethyl group exhibit significant antiinflammatory activity.