28691-47-6

Basic information

• Product Name: 1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID
• Synonyms: 1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID;1,2-Benzisoxazole-3-carboxylicacid(8CI,9CI);Benzo[d]isoxazole-3-carboxylic acid;Benzisoxazole-3-carboxylic acid;1,2-Benzoxazole-3-carboxylic acid
• CAS NO: 28691-47-6
• Molecular Formula: C₈H₅NO₃
• Molecular Weight: 163.13
• Product Categories: OXAZOLE
• Mol File: 28691-47-6.mol
• Article Data: 9

Chemical Properties

• Melting Point: 145-146 °C
• Boiling Point: 379.772 °C at 760 mmHg
• Flash Point: 183.48 °C
• Appearance: /
• Density: 1.455 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.661
• Storage Temp.: 2-8°C
• PKA: 2.32±0.10(Predicted)
• CAS DataBase Reference: 1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID(28691-47-6)
• EPA Substance Registry System: 1,2-BENZISOXAZOLE-3-CARBOXYLIC ACID(28691-47-6)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 28691-47-6(Hazardous Substances Data)

Usage

Description

1,2-Benzisoxazole-3-carboxylic acid is an organic compound that serves as a key metabolite in the metabolism of zonisamide, an anticonvulsant medication used to treat various types of seizures. It is characterized by its unique chemical structure, which consists of a benzene ring fused to an isoxazole ring, with a carboxylic acid group attached to the 3-position.

Uses

Used in Pharmaceutical Industry:
1,2-Benzisoxazole-3-carboxylic acid is used as an intermediate compound in the synthesis of zonisamide, an anticonvulsant medication. It plays a crucial role in the development and production of this drug, which is utilized for the treatment of various types of seizures, including partial seizures and absence seizures.
As a Metabolite in Anticonvulsant Medication:
1,2-Benzisoxazole-3-carboxylic acid is used as a metabolite in the metabolism of zonisamide, contributing to the drug's overall effectiveness in managing seizures. Its presence in the metabolic pathway of zonisamide highlights the importance of understanding the biotransformation processes of medications and their impact on therapeutic outcomes.
Potential Applications in Drug Development:
Given its role in the metabolism of an anticonvulsant medication, 1,2-benzisoxazole-3-carboxylic acid may also hold potential for further research and development in the pharmaceutical industry. This could include exploring its potential as a starting material for the synthesis of new anticonvulsant drugs or investigating its possible use in the treatment of other neurological disorders.

InChI:InChI=1/C8H5NO3/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H,(H,10,11)

Upstream product

• 1082682-56-1 methyl benzo[d]isoxazole-3-carboxylate 
• 57764-49-5 ethyl 1,2-benzisoxazole-3-carboxylate 
• 3740-52-1 2-(2-nitrophenyl)acetic acid 
• 31912-02-4 ethyl 2-nitrophenylacetate 
• 57764-48-4 hydroxyimino-(2-nitro-phenyl)-acetic acid ethyl ester 

Downstream Products

• 611-20-1 salicylonitrile 
• 28691-51-2 3-carboxy-5-nitro-1,2-benzisoxazole 
• 124-38-9 carbon dioxide 
• 1356854-62-0 2-[(benzo[d]isoxazole-3-carbonyl)-amino]-5-bromo-benzoic acid methyl ester 
• 1092768-69-8 C₂₄H₂₅ClN₂O₄ 
• 75290-76-5 1-(benzo[d]isoxazol-3-yl)ethanone 
• 1198567-69-9 2-[3-(2-benzo[d] isoxazol-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]propan-2-ol 

Relevant articles and documents

CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF

Disclosed are a class of compounds as a caspase inhibitor, and in particular the compound as shown in formula (I) or a pharmaceutically acceptable salt thereof, and the use of the compound in treating caspase-related diseases.

PYRROLIDINE INHIBITORS OF IAP

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1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF

The present invention relates generally to the field of ligands for nicotinic acetylcholine receptors (nAChR), activation of nAChRs, and the treatment of disease conditions associated with defective or malfunctioning nicotinic acetylcholine receptors, especially of the brain. Further, this invention relates to novel compounds (indazoles and benzothiazoles), which act as ligands for the α7 nAChR subtype, methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.