80172-02-7

Basic information

• Product Name: 3-ethoxycarbonyloxybenzoic acid
• Synonyms: 3-ethoxycarbonyloxybenzoic acid
• CAS NO: 80172-02-7
• Molecular Weight: 210.186
• Mol File: 80172-02-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3-ethoxycarbonyloxybenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ethoxycarbonyloxybenzoic acid(80172-02-7)
• EPA Substance Registry System: 3-ethoxycarbonyloxybenzoic acid(80172-02-7)

Safety Data

• Hazardous Substances Data: 80172-02-7(Hazardous Substances Data)

Upstream product

• 68423-35-8 ethyl (3-formylphenyl) carbonate 
• 541-41-3 chloroformic acid ethyl ester 
• 99-06-9 3-Carboxyphenol 

Downstream Products

• 245555-64-0 3-ethoxycarbonyloxybenzoyl chloride 

Relevant articles and documents

Crystal structure of the Homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor complex: Insights into the molecular basis of kynureninase substrate specificity

Homo sapiens kynureninase is a pyridoxal-5'-phosphate dependent enzyme that catalyzes the hydrolytic cleavage of 3-hydroxykynurenine to yield 3-hydroxyanthranilate and L-alanine as part of the tryptophan catabolic pathway leading to the de novo biosynthesis of NAD+. This pathway results in quinolinate, an excitotoxin that is an NMDA receptor agonist. High levels of quinolinate have been correlated with the etiology of neurodegenerative disorders such as AIDS-related dementia and Alzheimer's disease. We have synthesized a novel kynureninase inhibitor, 3-hydroxyhippurate, cocrystallized it with human kynureninase, and solved the atomic structure. On the basis of an analysis of the complex, we designed a series of His- 102, Ser-332, and Asn-333 mutants. The H102W/N333T and H102W/S332G/N333T mutants showed complete reversal of substrate specificity between 3-hydroxykynurenine and L-kynurenine, thus defining the primary residues contributing to substrate specificity in kynureninases.