4-Chlorokynurenine

Base Information

• Chemical Name: 4-Chlorokynurenine
• CAS No.: 75802-84-5
• Molecular Formula: C10H11 Cl N2 O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30997196
• Nikkaji Number: J1.307.720G
• Wikipedia: 4-Chlorokynurenine
• ChEMBL ID: CHEMBL3545351
• Mol file: 75802-84-5.mol

Synonyms:3-(4-chloroanthraniloyl)-DL-alanine;4-chloro-DL-kynurenine;4-chlorokynurenine

Chemical Property of 4-Chlorokynurenine

Chemical Property:

• Vapor Pressure: 1.74E-11mmHg at 25°C
• Boiling Point: 516.3°C at 760 mmHg
• Flash Point: 266.1°C
• PSA: 106.41000
• Density: 1.454g/cm³
• LogP: 2.18840
• Storage Temp.: Refrigerator
• Solubility.: Aqueous Acid (Slightly), DMSO (Sparingly)
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 242.0458199
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

99%, ^*data from raw suppliers

4-ChloroKynurenine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)N)C(=O)CC(C(=O)O)N
• Recent ClinicalTrials: Antidepressant Effects of the Glycine Receptor Antagonist AV-101 (4-chlorokynurenine) in Major Depressive Disorder
• Uses: 7-Cl-kynurenic acid (7-Cl-KYNA) is a potent, selective antagonist of the NMDA/glycine receptor but penetrates poorly through the blood-brain barrier. ?Its prodrug, L-4-Cl-kynurenine (4-Cl-KYN), readily enters the brain from the circulation and provides antiexcitotoxic neuroprotection after systemic application.