92029-29-3

Basic information

• Product Name: 4-Isoxazolecarboxylic acid, 3-Methyl-5-phenyl-, ethyl ester
• Synonyms: 4-Isoxazolecarboxylic acid, 3-Methyl-5-phenyl-, ethyl ester;3-methyl-5-phenyl-4-Isoxazolecarboxylic acid ethyl ester
• CAS NO: 92029-29-3
• Molecular Formula: C₁₃H₁₃NO₃
• Molecular Weight: 231.24722
• Mol File: 92029-29-3.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-Isoxazolecarboxylic acid, 3-Methyl-5-phenyl-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Isoxazolecarboxylic acid, 3-Methyl-5-phenyl-, ethyl ester(92029-29-3)
• EPA Substance Registry System: 4-Isoxazolecarboxylic acid, 3-Methyl-5-phenyl-, ethyl ester(92029-29-3)

Safety Data

• Hazardous Substances Data: 92029-29-3(Hazardous Substances Data)

Usage

General Description

4-Isoxazolecarboxylic acid, 3-methyl-5-phenyl-, ethyl ester is a chemical compound that belongs to the family of isoxazole carboxylic acid derivatives. It is an ethyl ester of 3-methyl-5-phenyl-4-isoxazolecarboxylic acid, which is commonly used in organic synthesis and medicinal chemistry. The compound has potential applications in the pharmaceutical industry as it exhibits various biological activities, including anticonvulsant, antitumor, and analgesic properties. Its molecular structure and properties make it a valuable building block for the synthesis of diverse pharmacologically important compounds. Additionally, it can also be used as a chemical intermediate in the production of other organic compounds.

Upstream product

• 141-97-9 ethyl acetoacetate 
• 569-37-9 ethyl 3-oxo-2-benzoylbutanoate 
• 98-88-4 benzoyl chloride 
• 870-85-9 ethyl 3-methylaminocrotonate 
• 82140-46-3 2-benzoyl-3-methylamino-crotonic acid ethyl ester 

Downstream Products

• 92575-31-0 3-methyl-5-(3-nitro-phenyl)-isoxazole-4-carboxylic acid 
• 93898-63-6 3-methyl-5-(3-nitro-phenyl)-isoxazole-4-carboxylic acid diethylamide 
• 95047-26-0 3-methyl-5-(3-nitro-phenyl)-isoxazole-4-carboxylic acid hydroxyamide 
• 93187-47-4 3-methyl-5-(3-nitro-phenyl)-isoxazole-4-carboxylic acid ethyl ester 
• 17153-21-8 3-methyl-5-phenyl-isoxazole-4-carboxylic acid 

Relevant articles and documents

Design, synthesis and cytotoxic activities of scopoletin-isoxazole and scopoletin-pyrazole hybrids

12 novel scopoletin-isoxazole and scopoletin-pyrazole hybrids were designed, synthesized and their chemical structures were confirmed by HR-MS, IR,1H NMR and13C NMR spectra. The anticancer activities of the newly synthesized compounds were evaluated in vitro against three human cancer cell lines including HCT-116, Hun7 and SW620 by MTT assay. The screening results showed that six compounds (9a, 9c, 9d, 12a, 18b and 18d) exhibited potent cytotoxic activities with IC50values below 20?μM. Besides, we have further evaluated the growth inhibitory activities of six compounds against the human normal tissue cell lines HFL-1. Especially, compound 9d displayed significant anti-proliferative activity with IC50values ranging from 8.76?μM to 9.83?μM and weak cytotoxicity with IC50value of 90.9?μM on normal cells HFL-1, which suggested that isoxazole-based hybrids of scopoletin were an effective chemical modification to improve the anticancer activity of scopoletin.

Novel isoxazole and thiazole compounds and use thereof as drugs

The present invention relates to novel isoxazole and thiazole compounds having an excellent lysophosphatidic acid (LPA) receptor antagonistic activity represented by general formula [1] or salts thereof: wherein R1 and R2 represents an optionally substituted alkyl group or the like; R3 represents a hydrogen atom or the like; R4 represent a group selected from the group consisting of (I) optionally substituted phenyl, aryl, or heterocycle, (II) substituted or nonsubstituted alkyl, and (III) substituted or nonsubstituted alkenyl, alternatively, R3 and R4 may form a ring structure together with a carbon atom to which they bind; and X represents an oxygen atom or a sulfur atom, provided that, when R3 is a hydrogen atom, R4 represents a group other than methyl, and the use thereof as a medicine.