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3-Nitro-L-tyrosine-13C6

Cat No.:V77324 Purity: ≥98%
3-Nitro-L-tyrosine-13C6 is 13C (carbon 13) labeled 3-Nitro-L-tyrosine.
3-Nitro-L-tyrosine-13C6
3-Nitro-L-tyrosine-13C6 Chemical Structure Product category: Endogenous Metabolite
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
Other Sizes

Other Forms of 3-Nitro-L-tyrosine-13C6:

  • 3-Nitro-L-tyrosine-d3
  • 3-Nitro-L-tyrosine ethyl ester hydrochloride
  • 3-Nitro-L-tyrosine
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
3-Nitro-L-tyrosine-13C6 is 13C (carbon 13) labeled 3-Nitro-L-tyrosine. 3-Nitro-L-tyrosine can serve as a biomarker for nitrogen-free radical-modified proteins under systemic autoimmunogenic conditions.
3-Nitro-L-tyrosine-13C6 is a stable isotope-labeled (13C) form of 3-Nitro-L-tyrosine, an oxidative stress marker. It is intended for use as an internal standard in LC-MS/MS assays to quantify levels of 3-Nitrotyrosine, a biomarker of nitrogen free radical species. The label consists of six carbon-13 atoms incorporated into the tyrosine ring.
Biological Activity I Assay Protocols (From Reference)
Targets
As an analytical standard, the compound does not have a biological target in the context of pharmacology. However, the non-labeled parent compound, 3-Nitro-L-tyrosine, is a biomarker of protein modification by reactive nitrogen species. It is used to identify peroxynitrite and other nitrogen free radical-mediated damage in tissues, particularly under systemic autoimmunogenic conditions.
ln Vitro
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as tracers for quantification throughout the drug development process. Due to its potential to alter the pharmacokinetic and metabolic characteristics of medications, deuteration has drawn attention[1].
The compound itself has no biological activity; it is a stable isotope-labeled internal standard. The unlabeled 3-Nitro-L-tyrosine is a derivative of L-tyrosine with a nitro group at the 3-carbon of its benzene ring. It is used as a chemically modified amino acid biomarker to monitor oxidative and nitrosative stress in vitro.
ln Vivo
The labeled compound is not used in vivo for activity studies. The parent biomarker, 3-Nitro-L-tyrosine, is a known marker of nitrogen free radical species in vivo. It is studied in systemic autoimmunogenic conditions to measure the degree of oxidative stress in tissues and to monitor the progression of diseases like lupus and arthritis.
Enzyme Assay
A standard LC-MS/MS protocol is followed: a known amount of the 13C6-labeled internal standard is spiked into biological samples. After protein precipitation and solid-phase extraction (SPE), the sample is injected onto a C18 column. The internal standard and analyte are detected in MRM mode, and the peak area ratio is used for precise quantification of oxidative stress levels.
Cell Assay
For cell-based oxidative stress studies, cells are treated with inflammatory cytokines (e.g., IFN-gamma, LPS) to induce nitric oxide production. The cells are then lysed, and the protein is hydrolyzed. The 13C6-internal standard is added to the hydrolysate. The ratio of labeled to non-labeled 3-Nitrotyrosine is measured by LC-MS/MS to quantify protein nitration.
Animal Protocol
For in vivo studies, the internal standard is not dosed. In an animal model of inflammation (e.g., LPS-induced endotoxemia in rats), blood or tissue samples are collected. The 13C6-labeled internal standard is added to these samples to measure the concentration of the endogenous biomarker 3-Nitrotyrosine. This serves as a quantitation tool to assess oxidative stress levels in the animal model.
ADME/Pharmacokinetics
The labeled compound has a molecular weight of 232.14 and a formula C3¹3C6H10N2O5. It is a solid, white to off-white powder. It is soluble in water at a concentration of 5 mg/mL (21.54 mM) with ultrasonic and warming to 60degC. For storage, it should be kept at 4degC sealed, away from moisture and light. In solvent, it can be stored at -80degC for 6 months.
Toxicity/Toxicokinetics
3-Nitro-L-tyrosine-13C6 is non-toxic at the trace concentrations used for analytical purposes. The unlabeled compound is a chemically modified amino acid that is produced endogenously as a marker of oxidative stress. The compound is "For research use only" and not for human therapeutic or diagnostic use.
References

[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.

[2]. 3-nitro-tyrosine as a peripheral biomarker of minimal hepatic encephalopathy in patients with liver cirrhosis. Am J Gastroenterol. 2011 Sep;106(9):1629-37.

Additional Infomation
This product is a research-grade stable isotope-labeled chemical used as an analytical standard. It is not a drug and has no FDA approval for therapeutic use. It is primarily used in pharmaceutical research for biomarker quantitation of oxidative stress and nitrosative stress in systemic autoimmunogenic conditions.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C313C6H10N2O5
Molecular Weight
233.12
Related CAS #
3-Nitro-L-tyrosine;621-44-3
Appearance
Typically exists as solid at room temperature
HS Tariff Code
2934.99.9001
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 (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
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
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.2896 mL 21.4482 mL 42.8964 mL
5 mM 0.8579 mL 4.2896 mL 8.5793 mL
10 mM 0.4290 mL 2.1448 mL 4.2896 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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