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:

99% ^*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
• Uses: 3-Hydroxykynurenine is a metabolite of tryptophan. ential endogenous neurotoxin. 3-Hydroxy-DL-kynurenine has been used:as a substrate for the recombinant human kynureninase assay as a reference standard in tandem mass spectrometry (MS/MS) analysisas a control for quantifying serum 3-Hydroxy-DL-kynurenine levels in diabetic retinopathy patients

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:

2-amino-3-hydroxy-4-methylbenzoic acid

3-hydroxykynurenine

L-alanin

3-hydroxyanthranilic acid