144060-97-9

Basic information

• Product Name: ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
• Synonyms: ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate;Ethyl 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methyl-1,3-Thiazole-5-Carboxylate;Febuxostat Descyano Ethyl Ester;ethyl 2-(4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
• CAS NO: 144060-97-9
• Molecular Formula: C₁₇H₂₁NO₃S
• Molecular Weight: 319.42
• EINECS: -0
• Mol File: 144060-97-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 438.3±55.0 °C(Predicted)
• Appearance: /
• Density: 1.132±0.06 g/cm3(Predicted)
• PKA: 1.61±0.10(Predicted)
• CAS DataBase Reference: ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate(144060-97-9)
• EPA Substance Registry System: ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate(144060-97-9)

Safety Data

• Hazardous Substances Data: 144060-97-9(Hazardous Substances Data)

Usage

Uses

3-Descyano Febuxostat Ethyl Ester is an impurity of Febuxostat (F229000), a xanthine oxidase/xanthine dehydrogenase inhibitor. Used for treatment of hyperuricemia and chronic gout. 40-120 mg/day febuxostat was proven effective in lowering serum urate levels when administered to manage hyperuricemia in patients with gout.

Upstream product

• 161797-99-5 (2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester) 
• 78-77-3 Isobutyl bromide 

Downstream Products

• 1206550-99-3 2-(4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid 
• 144060-62-8 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid 

Relevant articles and documents

Design, synthesis, in silico and in vitro studies of novel 4-methylthiazole-5-carboxylic acid derivatives as potent anti-cancer agents

Since inhibitors of mucin onco proteins are potential targets for breast cancer therapy, a series of novel 4-methylthiazole-5-carboxylic acid (1) derivatives 3a-k were synthesized by the reaction of 1 with SOCl2followed by different bases/alcohols in the presence of triethylamine. Once synthesized and characterized, their binding modes with MUC1 were studied by molecular docking analysis using Aruglab 4.0.1 and QSAR properties were determined using HyperChem. All synthesized compounds were screened for in vitro anti-breast cancer activity against MDA-MB-231 breast adenocarcinoma cell lines by Trypan-blue cell viability assay and MTT methods. Compounds 1, 3b, 3d, 3e, 3i and 3f showed good anti-breast cancer activity. Since 1 and 3d exhibited high potent activity against MDA-MB-231 cell lines, they show could be effective mucin onco protein inhibitors.