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L-Asparagine-13C4,15N2 monohydrate (L-(+)-anhydrous asparagine 13C4,15N2 (monohydrate))

Cat No.:V70968 Purity: ≥98%
L-Asparagine-13C4,15N2 (monohydrate) is a 13C (carbon 13) and 15N (nitrogen 15) labelled L-Asparagine (monohydrate).
L-Asparagine-13C4,15N2 monohydrate (L-(+)-anhydrous asparagine 13C4,15N2 (monohydrate))
L-Asparagine-13C4,15N2 monohydrate (L-(+)-anhydrous asparagine 13C4,15N2 (monohydrate)) Chemical Structure CAS No.: 202406-87-9
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 L-Asparagine-13C4,15N2 monohydrate (L-(+)-anhydrous asparagine 13C4,15N2 (monohydrate)):

  • L-Asparagine-1,2,3,4-13C4 monohydrate (L-Asparagine monohydrate-13C4)
  • L-Asparagine monohydrate
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
L-Asparagine-13C4,15N2 (monohydrate) is a 13C (carbon 13) and 15N (nitrogen 15) labelled L-Asparagine (monohydrate). L-Asparagine monohydrate ((-)-Asparagine monohydrate) is a non-essential amino acid (AA) involved in the metabolic control of cell function in nerve and brain tissue.
L-Asparagine-13C4,15N2 monohydrate is a highly labeled stable isotope form of the non-essential amino acid L-asparagine. In this compound, all four carbon atoms and both nitrogen atoms are enriched with carbon-13 and nitrogen-15, respectively. This isotopically enriched compound is primarily used as an analytical internal standard for mass spectrometry in pharmacokinetic and metabolic studies, as well as a tracer for metabolic flux analysis.
Biological Activity I Assay Protocols (From Reference)
Targets
No specific drug target; serves as a stable isotope-labeled tracer and internal standard for asparagine metabolism studies.
ln Vitro
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
The non-labeled L-asparagine monohydrate is a non-essential amino acid involved in the metabolic control of cell functions in nerve and brain tissue. As a stable isotope-labeled compound, L-Asparagine-13C4,15N2 monohydrate exhibits identical chemical properties to unlabeled asparagine but provides a distinct mass signature for precise quantification by LC-MS/MS.
ln Vivo
As a stable isotope-labeled internal standard, in vivo activity is not assessed. The non-labeled L-asparagine is an amino acid essential for protein synthesis and nitrogen transport. It plays a role in the metabolic control of cell function in nerve and brain tissue and is involved in the urea cycle. L-asparagine is also used clinically as a component of parenteral nutrition.
Enzyme Assay
Receptor binding assays are not applicable. For analytical use, standard LC-MS/MS protocols involve preparing calibration standards and quality control samples containing L-Asparagine-13C4,15N2 monohydrate as an internal standard. Sample extraction from biological matrices (plasma, urine, or tissue) is followed by protein precipitation, derivatization if required, and analysis by LC-MS/MS with MRM detection.
Cell Assay
Not applicable as this is an analytical internal standard. For cell culture studies, labeled L-asparagine can be added to culture media at tracer concentrations (e.g., 0.1-2 mM). Cells are incubated for 1-24 hours to allow incorporation into proteins and metabolites. Cellular extracts are analyzed by LC-MS to trace 13C and 15N incorporation into metabolic pathways.
Animal Protocol
In vivo metabolic flux studies using L-Asparagine-13C4,15N2 monohydrate involve intravenous or oral administration of the labeled amino acid to rodents (mice or rats). Blood samples are collected at multiple time points (0-6 hours) and analyzed by LC-MS/MS. Tissues including liver, kidney, and brain may be harvested for isotopic enrichment analysis to study asparagine metabolism and distribution.
ADME/Pharmacokinetics
As an analytical standard, pharmacokinetic properties are not directly assessed. The labeled compound follows the same metabolic fate as unlabeled L-asparagine, which is rapidly distributed throughout the body and actively transported into cells, where it is incorporated into proteins or deaminated by asparaginase. The plasma half-life of L-asparagine is relatively short (approximately 15-30 minutes).
Toxicity/Toxicokinetics
Toxicity data for the labeled compound are not available as it is used only as an analytical standard at tracer concentrations. The non-labeled L-asparagine is a naturally occurring amino acid considered safe at physiological concentrations. At very high doses, L-asparagine is generally well-tolerated. However, asparaginase (which depletes asparagine) is used therapeutically in cancer treatment, indicating that asparagine is essential for certain tumor cells.
References

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

Additional Infomation
L-Asparagine-13C4,15N2 monohydrate is a stable isotope-labeled compound used exclusively for research and bioanalytical applications. It is particularly valuable as an internal standard for the quantification of L-asparagine in pharmacokinetic studies of asparaginase drugs (e.g., pegaspargase) used in acute lymphoblastic leukemia treatment. This compound is not a therapeutic agent and has no approved clinical indications.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C4H10N2O4
Molecular Weight
150.133201122284
Exact Mass
156.071
CAS #
202406-87-9
Related CAS #
L-Asparagine monohydrate;5794-13-8
PubChem CID
117064246
Appearance
White to off-white solid powder
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Heavy Atom Count
10
Complexity
134
Defined Atom Stereocenter Count
1
SMILES
OC([C@H](CC(N)=O)N)=O.O
InChi Key
RBMGJIZCEWRQES-KNBQNQHASA-N
InChi Code
InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1;
Chemical Name
(2S)-2,4-bis(15N)(azanyl)-4-oxo(1,2,3,4-13C4)butanoic acid;hydrate
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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.  (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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)
Solubility Data
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 6.6609 mL 33.3045 mL 66.6089 mL
5 mM 1.3322 mL 6.6609 mL 13.3218 mL
10 mM 0.6661 mL 3.3304 mL 6.6609 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
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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