52779-89-2

Basic information

• Product Name: 2-[3-(thiophen-2-ylcarbonyl)phenyl]propanoic acid
• Synonyms: benzeneacetic acid, alpha-methyl-3-(2-thienylcarbonyl)-
• CAS NO: 52779-89-2
• Molecular Formula: C₁₄H₁₂O₃S
• Molecular Weight: 260.3083
• Mol File: 52779-89-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 445.3°C at 760 mmHg
• Flash Point: 223.1°C
• Density: 1.29g/cm³
• Vapor Pressure: 1.03E-08mmHg at 25°C
• Refractive Index: 1.612
• CAS DataBase Reference: 2-[3-(thiophen-2-ylcarbonyl)phenyl]propanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[3-(thiophen-2-ylcarbonyl)phenyl]propanoic acid(52779-89-2)
• EPA Substance Registry System: 2-[3-(thiophen-2-ylcarbonyl)phenyl]propanoic acid(52779-89-2)

Safety Data

• Hazardous Substances Data: 52779-89-2(Hazardous Substances Data)

Upstream product

• 52986-65-9 2-(3-(thiophene-2-carbonyl)phenyl)propanenitrile 
• 42872-29-7 3-(1-cyanoethyl)benzoyl chloride 
• 5537-71-3 2-(3-carboxyphenyl)propanenitrile 
• 349113-51-5 7-(2-tenoyl)-3-methyl-5,6-dihydro-2(4H)-benzofuranon 
• 52779-80-3 α-chloro-α-methyl-m-tolyl thien-2-yl ketone 
• 52779-73-4 α-hydroxy-α-methyl-m-tolyl thien-2-yl ketone 

Relevant articles and documents

Design of noncompetitive interleukin-8 inhibitors acting on CXCR1 and CXCR2

Chemokines CXCL8 and CXCL1 play a key role in the recruitment of neutrophils at the site of inflammation. CXCL8 binds two membrane receptors, CXCR1 and CXCR2, whereas CXCL1 is a selective agonist for CXCR2. In the past decade, the physiopathological role of CXCL8 and CXCL1 has been investigated. A novel class of small molecular weight allosteric CXCR1 inhibitors was identified, and reparixin, the first drug candidate, is currently under clinical investigation in the prevention of ischemia/reperfusion injury in organ transplantation. Reparixin binding mode to CXCR1 has been studied and used for a computer-assisted design program of dual allosteric CXCR1 and CXCR2 inhibitors. In this paper, the results of modeling-driven SAR studies for the identification of potent dual inhibitors are discussed, and three new compounds (56, 67, and 79) sharing a common triflate moiety have been selected as potential leads with optimized pharmacokinetic characteristics.

Aroyl-substituted phenylacetic acid derivatives

Compounds of the class of aroyl-substituted phenylacetic acids and corresponding esters, amides and hydroxamic acids, useful as anti-inflammatory agents and certain novel precursors therefor.