3-hydroxy-L-kynurenine

Base Information

• Chemical Name: 3-hydroxy-L-kynurenine
• CAS No.: 606-14-4
• Molecular Formula: C₁₀H₁₂N₂O₄
• Molecular Weight: 224.216
• Hs Code.: 2922509090
• UNII: F459WK6M6B
• DSSTox Substance ID: DTXSID501314352
• Nikkaji Number: J14.711G
• Wikidata: Q27102345
• Metabolomics Workbench ID: 41433
• ChEMBL ID: CHEMBL4071755
• Mol file: 606-14-4.mol

Synonyms:3-hydroxy-L-kynurenine;606-14-4;L-3-Hydroxykynurenine;(S)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid;3-(3-Hydroxyanthraniloyl)-L-alanine;3-hydroxy-kynurenine;(2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid;Alanine, 3-(3-hydroxyanthraniloyl)-, L-;3-Hydroxykynurenine, (S)-;F459WK6M6B;CHEMBL4071755;3-(2-amino-3-hydroxybenzoyl)-L-alanine;Benzenebutanoic acid, alpha,2-diamino-3-hydroxy-gamma-oxo-, (S)-;D-3-Hydroxykynurenine;UNII-F459WK6M6B;SCHEMBL134058;L-3-HK;CHEBI:17380;(S)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoicacid;DTXSID501314352;BDBM50501801;LS-16129;C03227;Q27102345;Benzenebutanoic acid, .alpha.,2-diamino-3-hydroxy-.gamma.-oxo-, (S)-;(.ALPHA.S)-.ALPHA.,2-DIAMINO-3-HYDROXY-.GAMMA.-OXOBENZENEBUTANOIC ACID;BENZENEBUTANOIC ACID, .ALPHA.,2-DIAMINO-3-HYDROXY-.GAMMA.-OXO-, (.ALPHA.S)-;3DJ

Chemical Property of 3-hydroxy-L-kynurenine

Chemical Property:

• Vapor Pressure: 1.31E-11mmHg at 25°C
• Melting Point: 187.5°C (rough estimate)
• Refractive Index: 1.6620 (estimate)
• Boiling Point: 519.3°C at 760 mmHg
• 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

(S)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoicacid 95+% ^*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
• Isomeric SMILES: C1=CC(=C(C(=C1)O)N)C(=O)C[C@@H](C(=O)O)N
• Uses: (S)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid (CAS# 606-14-4) is metabolite of L-tryptophan. 3-Hydroxy L-kynurenine may be an endogenous oxidative stress generator and a potential endogenous neurotoxin. It is also used by biological study and diagnostic use in biomarker composition for predicting prognosis of diabetes mellitus after bariatric surgery.

Technology Process of 3-hydroxy-L-kynurenine

There total 5 articles about 3-hydroxy-L-kynurenine 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

xanthommatin

8-hydroxy-4-oxo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

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