144060-93-5

Basic information

• Product Name: 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
• Synonyms: 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester;5-Thiazolecarboxylic acid,4-methyl-2-[4-(2-methylpropoxy)-3-nitrophenyl]-,ethyl ester
• CAS NO: 144060-93-5
• Molecular Formula: C₁₇H₂₀N₂O₅S
• Molecular Weight: 364.42
• Mol File: 144060-93-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 503.2 °C at 760 mmHg
• Flash Point: 258.2 °C
• Appearance: /
• Density: 1.240
• Vapor Pressure: 2.96E-10mmHg at 25°C
• Refractive Index: 1.564
• PKA: 0.03±0.10(Predicted)
• CAS DataBase Reference: 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester(144060-93-5)
• EPA Substance Registry System: 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester(144060-93-5)

Safety Data

• Hazardous Substances Data: 144060-93-5(Hazardous Substances Data)

Usage

General Description

The chemical 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester is a compound that belongs to the class of thiazolecarboxylic acid ethyl esters. It contains a nitro group, a methyl group, and a thiazole ring in its structure. 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester has potential applications in the pharmaceutical industry as it may exhibit biological activity or serve as a building block in the synthesis of other molecules. Its specific properties and uses would depend on further scientific research and experimentation.

InChI:InChI=1/C17H20N2O5S/c1-5-23-17(20)15-11(4)18-16(25-15)12-6-7-14(24-9-10(2)3)13(8-12)19(21)22/h6-8,10H,5,9H2,1-4H3

Upstream product

• 609-15-4 ethyl 2-chloro-3-oxo-butyrate 
• 7693-52-9 4-bromo-2-nitrophenol 
• 20582-55-2 ethyl 4-methylthiazole-5-carboxylate 
• 876938-69-1 4-bromo-1-(2-methylpropoxy)-2-nitrobenzene 

Downstream Products

• 144060-92-4 ethyl 2-[3-amino-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate 
• 144060-13-9 2-(4-isobutoxy-3-nitrophenyl)-4-methylthiazole-5-carboxylic acid 
• 144060-53-7 febuxostat 

Relevant articles and documents

Discovery of 2-phenylthiazole-4-carboxylic acid, a novel and potent scaffold as xanthine oxidase inhibitors

The xanthine oxidase (XO) plays an important role in producing uric acid, and therefore XO inhibitors are considered as one of the promising therapies for hyperuricemia and gout. We have previously reported a series of XO inhibitors with pyrazole scaffold to extend the chemical space of current XO inhibitors. Herein, we describe further structural optimization to explore the optimal heterocycle by replacing the thiazole ring of Febuxostat with 5 heterocycle scaffolds unexplored in this field. All of these efforts resulted in the identification of compound 8, a potent XO inhibitor (IC50 = 48.6 nM) with novel 2-phenylthiazole-4-carboxylic acid scaffold. Moreover, lead compound 8 exhibited hypouricemic effect in potassium oxonate-hypoxanthine-induced hyperuricemic mice. These results promote the understanding of ligand-receptor interaction and might help to design more promising XO inhibitors.