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| 1mg |
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| Other Sizes |
| Targets |
The parent compound, 3‑hydroxykynurenine, is an endogenous metabolite in the kynurenine pathway of tryptophan catabolism. It does not target a receptor; rather, it acts as a redox‑active molecule and oxidative stress generator. The isotope‑labeled version has the same physical and chemical properties as the endogenous analyte but is distinguished by mass. As an internal standard, its "target" is the mass spectrometer, where it is used to correct for matrix effects and sample loss during analysis. It does not have any biological target for therapeutic purposes.
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| ln Vitro |
Stable heavy isotopes of hydrogen, carbon and other elements have been incorporated into drug molecules, primarily as quantitative tracers in the drug development process. Deuteration has attracted attention because it may affect the pharmacokinetics and metabolic profile of drugs [1].
As an analytical internal standard, 3‑Hydroxykynurenine‑¹3C2,¹⁵N hydrochloride is not used in biological activity assays. It is inactive in vitro. The unlabeled parent 3‑HK is a known neurotoxin. In primary neuronal cultures, it induces neuronal cell death with apoptotic features, with EC₅0 in the 50‑200 uM range, via generation of reactive oxygen species (hydrogen peroxide and hydroxyl radicals). It also has weak anti‑oxidant properties at low concentrations. The isotope‑labeled version is not used for such assays. |
| ln Vivo |
In vivo, the isotope‑labeled internal standard is not administered to animals as a therapeutic. It is used ex vivo: it is spiked into plasma, cerebrospinal fluid, or tissue homogenates prior to LC‑MS/MS analysis. The unlabeled parent compound is an endogenous metabolite; elevated levels are associated with several neurodegenerative disorders, including Huntington's disease, Alzheimer's disease, and Parkinson's disease. It may function as an endogenous toxin contributing to neuronal death.
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| Enzyme Assay |
General in vitro LC‑MS/MS assay protocol (for 3‑HK quantification): Prepare a calibration curve in blank matrix (e.g., charcoal‑stripped plasma) using unlabeled 3‑HK (0.1‑1000 ng/mL). Spike a fixed concentration of 3‑Hydroxykynurenine‑¹3C2,¹⁵N hydrochloride (e.g., 50 ng/mL) into every calibration standard, QC sample, and unknown study sample. Deproteinize 100 uL plasma with 300 uL acetonitrile containing the internal standard. Centrifuge, evaporate the supernatant, reconstitute in 0.1% formic acid, and inject onto a C18 reverse‑phase column. Use positive ion mode ESI‑MS/MS: transition for unlabeled 3‑HK (m/z 225 → 208) and for labeled internal standard (m/z 228 → 211). The peak area ratio is used to calculate concentration.
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| Cell Assay |
General in vitro cell‑based neurotoxicity assay (for the unlabeled compound): Seed primary rat cerebellar granule neurons in 96‑well plates (1×10⁵ cells/well). After 7 days, treat with 3‑hydroxykynurenine (10‑500 uM) for 24 h. Assess cell viability by MTT assay. The EC₅0 is typically 50‑200 uM. Co‑treatment with catalase (200 U/mL) or desferrioxamine (100 uM) blocks neurotoxicity. For oxidative stress measurement, treat cells with 100 uM 3‑HK for 6 h, then add DCFH‑DA (10 uM) and measure fluorescence at 485/535 nm. The labeled standard is not used in these assays.
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| Animal Protocol |
General in vivo protocol for a metabolomics study (using labeled standard as internal control): Collect plasma from human or animal subjects (e.g., 100 uL). Add 10 uL of 3‑Hydroxykynurenine‑¹3C2,¹⁵N hydrochloride (1 ug/mL) as internal standard. Mix and deproteinize with 300 uL methanol containing 0.1% formic acid. Centrifuge at 14,000 rpm for 10 min. Inject 10 uL supernatant onto an LC‑MS/MS system. Quantify 3‑HK in samples using the ratio method. This protocol is used to study changes in kynurenine pathway metabolites in disease states such as inflammation, depression, or neurodegeneration.
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| ADME/Pharmacokinetics |
3‑Hydroxykynurenine‑¹3C2,¹⁵N hydrochloride is a water‑soluble, polar molecule. It is not used for in vivo administration. For research use as an internal standard, it is typically supplied as a lyophilized powder or in solution (e.g., 100 ug/mL in water). It is stored at ‑20degC, protected from light. The labeled compound is stable for several years when stored as a dry solid. Solutions should be prepared fresh and stored at ‑80degC for long‑term stability to prevent degradation.
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| Toxicity/Toxicokinetics |
The labeled internal standard is non‑toxic at the trace levels used in bioanalysis. The parent compound (unlabeled) is a neurotoxin at high concentrations but is an endogenous metabolite at normal levels. The isotope‑labeled version poses no safety risk. For impurity qualification in a drug substance, it is not a typical impurity; it is a specialized analytical reagent.
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| References | |
| Additional Infomation |
Background: The kynurenine pathway is the major route of tryptophan catabolism, leading to the production of nicotinamide adenine dinucleotide (NAD+). 3‑Hydroxykynurenine is an intermediate that can auto‑oxidize and generate reactive oxygen species, contributing to oxidative stress. The stable isotope‑labeled standard is essential for accurate quantification of this labile metabolite in complex biological matrices. The compound is manufactured under GMP‑like conditions for research use. It is stored at ‑20degC and is for research use only, not for diagnostic or therapeutic procedures.
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| Molecular Formula |
C813C2H12N15NO4.XHCL
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| Related CAS # |
3-Hydroxykynurenine; 3-Hydroxykynurenine-13C3,15N
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| Appearance |
Light green to green solid powder
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| Synonyms |
3-Hydroxy-DL-kynurenine-13C2,15N hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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