3-Hydroxykynurenine

Base Information

• Chemical Name: 3-Hydroxykynurenine
• CAS No.: 484-78-6
• Deprecated CAS: 2147-61-7
• Molecular Formula: C₁₀H₁₂N₂O₄
• Molecular Weight: 224.216
• Hs Code.: 2922509090
• European Community (EC) Number: 633-645-7
• NSC Number: 96400
• UNII: 27723548JL
• DSSTox Substance ID: DTXSID00862009
• Nikkaji Number: J16.831I
• Wikipedia: 3-Hydroxykynurenine
• Wikidata: Q2815992
• NCI Thesaurus Code: C63766
• ChEMBL ID: CHEMBL442576
• Mol file: 484-78-6.mol

Synonyms:3-(3-hydroxyanthraniloyl)alanine;3-hydroxykynurenine;3-hydroxykynurenine, (D)-isomer;3-hydroxykynurenine, (DL)-isomer;3-hydroxykynurenine, (L)-isomer

Chemical Property of 3-Hydroxykynurenine

Chemical Property:

• Vapor Pressure: 1.49E-12mmHg at 25°C
• Melting Point: 213 °C (decomp)
• Refractive Index: 1.6620 (estimate)
• Boiling Point: 519.3°Cat760mmHg
• PKA: 2.16±0.23(Predicted)
• Flash Point: 267.9°C
• PSA: 126.64000
• Density: 1.461g/cm³
• LogP: 1.24060
• Storage Temp.: 2-8°C
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 224.07970687
• Heavy Atom Count: 16
• Complexity: 282

Purity/Quality:

97% ^*data from raw suppliers

3-Hydroxy-DL-kynurenine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
• General Description: 2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid (3-hydroxykynurenine) is a key intermediate in the tryptophan metabolic pathway, serving as a substrate for Anopheles gambiae 3-hydroxykynurenine transaminase (Ag-HKT), which converts it into xanthurenic acid. This enzymatic process is vital for mosquito physiology and represents a potential target for disrupting malaria transmission. 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid has been studied alongside synthetic analogs as part of efforts to develop inhibitors of Ag-HKT, which could lead to novel insecticides or transmission-blocking strategies.

Technology Process of 3-Hydroxykynurenine

There total 5 articles about 3-Hydroxykynurenine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3-hydroxykynurenine (484-78-6,606-14-4,2147-61-7,4043-91-8)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01148a125

Reference yield:

→ 3-hydroxykynurenine (484-78-6,606-14-4,2147-61-7,4043-91-8)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; Hydrogenation;

Reference yield:

→ 3-hydroxykynurenine (484-78-6,606-14-4,2147-61-7,4043-91-8)

Guidance literature:

With phosphorus; hydrogen iodide;

Downstream raw materials:

xanthommatin

xanthurenic acid

2'-amino-3'-hydroxyacetophenone

xanthommatin

Refernces

Study of Anopheles gambiae 3-hydroxykynurenine transaminase activity and inhibition by LC-MS/MS method

10.1016/j.jpba.2019.05.025

The study focuses on the activity and inhibition of Anopheles gambiae 3-hydroxykynurenine transaminase (Ag-HKT), an enzyme that metabolizes 3-hydroxykynurenine into xanthurenic acid, which is crucial for mosquito vector physiology and a potential target for transmission-blocking drugs and insecticides. The researchers developed and validated a new LC-MS/MS method to evaluate Ag-HKT activity and the potency of inhibitors. Chemicals used in the study included L-kynurenine (L-KYN), kynurenic acid (KA), xanthurenic acid (XA), 3-hydroxy-DL-kynurenine (D,L-3-HK), and pyridoxal 5′-phosphate (PLP) as key components of the enzymatic assay. Additionally, 4-(2-aminophenyl)-4-oxobutanoic acid (INI) and its derivative 4-(2-Amino-3-hydroxyphenyl)-4-oxobutanoic acid (3-OH-INI) were synthesized and tested as potential inhibitors of Ag-HKT. The purpose of these chemicals was to establish a method for quantifying the enzyme's activity and to identify and characterize compounds that could inhibit Ag-HKT, providing a basis for the development of new insecticides and malaria transmission-blocking drugs.

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