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Urea-13C,15N2 (urea-13C,15N2)

Cat No.:V72717 Purity: ≥98%
Urea-13C,15N2 is 13C (carbon 13) and 15N (nitrogen 15) labelled Urea.
Urea-13C,15N2 (urea-13C,15N2)
Urea-13C,15N2 (urea-13C,15N2) Chemical Structure CAS No.: 58069-83-3
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
10mg
Other Sizes

Other Forms of Urea-13C,15N2 (urea-13C,15N2):

  • Virgaureagenin F
  • N,N'-Dimethylthiourea (N,N-dimethylthiourea; DMTU)
  • Urea-13C (urea-13C)
  • Urea-d4 (1,1,3,3-Tetradeuteriourea; Urea-d4)
  • Urea
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Urea-13C,15N2 is 13C (carbon 13) and 15N (nitrogen 15) labelled Urea. Urea is a potent protein denaturant that acts through direct and indirect mechanisms. An effective emollient and keratolytic agent. Used as a diuretic. Blood urea nitrogen (BUN) has been used to assess renal function. It is extensively used as a nitrogen source in fertilizers and is an important raw material in the chemical industry.
Urea-13C,15N2 is a dual stable isotope-labeled form of urea where the carbon atom is enriched with carbon-13 (13C) and both nitrogen atoms are enriched with nitrogen-15 (15N). With a molecular weight of 63.03 and formula (13C)H4(15N)2O, it is a fully labeled analog of urea. Urea is a physiological regulator of nitrogen excretion in mammals, synthesized in the liver as an end-product of protein catabolism and excreted in urine.
Biological Activity I Assay Protocols (From Reference)
Targets
Urea-13C,15N2 does not have a specific pharmacological target as it is a stable isotope-labeled tracer. Urea itself is a powerful protein denaturant that acts through both direct and indirect mechanisms. In biological systems, urea is involved in nitrogen metabolism and excretion. The labeled form is used as a tracer to study the urea cycle, nitrogen metabolism, and renal function. Its "target" in research is the metabolic pathways involving urea and nitrogen balance.
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].
In vitro activity of Urea-13C,15N2 is measured as its utility as a tracer in metabolic studies. In cell-free systems, urea is known to denature proteins at high concentrations. The labeled compound can be used in protein denaturation studies with the isotope labels allowing for mass spectrometry analysis. Its activity in biochemical assays is primarily as a probe for studying protein structure, nitrogen metabolism, and the mechanisms of urea action.
ln Vivo
In vivo, Urea-13C,15N2 is used to study nitrogen metabolism and renal function. Urea is a physiological regulator of nitrogen excretion in mammals, synthesized in the liver as an end-product of protein catabolism and excreted in urine. Blood urea nitrogen (BUN) is used to assess renal function. The dual-labeled compound serves as a tracer to study urea kinetics, distribution, and clearance, as well as nitrogen flux through the urea cycle. It enhances the understanding of urea's role in biological processes and is used in research on renal function and metabolic disorders.
Enzyme Assay
In vitro enzyme assays with Urea-13C,15N2 typically involve studying urease, the enzyme that catalyzes the hydrolysis of urea to ammonia and carbon dioxide. The assay involves incubating urease with the labeled urea in appropriate buffer at 37°C, and monitoring the release of labeled ammonia (15NH3) and carbon dioxide (13CO2) by mass spectrometry. The kinetics of the reaction can be followed by measuring the disappearance of the substrate or the appearance of products. This approach allows for mechanistic studies of urease activity and the investigation of enzyme inhibitors.
Cell Assay
Urea-13C,15N2 is not typically used in standard cell culture experiments as a bioactive compound. However, it may be employed in studies of urea transport and metabolism in cell lines. Cells such as renal epithelial cells can be cultured with the labeled compound to study urea transporter function and expression. Cells are treated with the labeled urea, and intracellular and extracellular urea levels are measured by mass spectrometry. These experiments provide insights into urea handling by cells and the role of urea transporters.
Animal Protocol
In vivo animal experiments with Urea-13C,15N2 typically involve administering the labeled compound via oral gavage, intravenous injection, or intraperitoneal injection to rodents or other animal models. Blood, urine, and tissue samples are collected at various time points, and isotopic enrichment of urea and its metabolites (ammonia, CO2) is measured by mass spectrometry. The dual labeling allows for simultaneous tracking of both carbon and nitrogen, providing comprehensive data on urea kinetics, distribution volume, clearance rates, and nitrogen metabolism.
ADME/Pharmacokinetics
The pharmacokinetic (PK) properties of Urea-13C,15N2 are essentially identical to those of natural urea. Urea is a small, highly water-soluble molecule that is rapidly absorbed from the gastrointestinal tract and distributed throughout total body water. It is primarily excreted by the kidneys through glomerular filtration, with some tubular reabsorption. The plasma half-life of urea in humans is approximately 2-4 hours under normal conditions. The isotope labels do not significantly alter its PK properties, making it an ideal tracer for studying urea kinetics and renal function.
Toxicity/Toxicokinetics
Urea-13C,15N2 has a low toxicity profile consistent with natural urea. Urea itself is a normal component of mammalian metabolism and is generally safe at physiological concentrations. At high concentrations, urea can act as a protein denaturant. As a stable isotope-labeled compound, the 13C and 15N labels do not introduce additional toxicity. Standard laboratory safety practices are sufficient for handling. It is not classified as a hazardous substance and is used in research applications including mass spectrometry.
References

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

[2]. The molecular basis for the chemical denaturation of proteins by urea. Proc Natl Acad Sci U S A. 2003 Apr 29;100(9):5142-7.

[3]. Urea: a comprehensive review of the clinical literature. Dermatol Online J. 2013 Nov 1519(11):20392.

[4]. Urea. Subcell Biochem. 201473:7-29.

Additional Infomation
Urea-13C,15N2 is a research-grade stable isotope-labeled compound used primarily as a tracer in metabolic and clinical research. Its applications include studying urea metabolism, the urea cycle, nitrogen balance, and renal function. It is also used as an internal standard in mass spectrometry-based metabolomics. Urea itself is a potent protein denaturant, an emollient, a keratolytic agent, and a diuretic. The labeled form is not a drug and has no therapeutic indications. It is available for laboratory research use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
13CH415N2O
Molecular Weight
63.03
Exact Mass
63.029
CAS #
58069-83-3
Related CAS #
Urea;57-13-6
PubChem CID
16213489
Appearance
White to off-white solid powder
Density
1.212g/cm3
Melting Point
132-135ºC(lit.)
Index of Refraction
1.468
LogP
0.424
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Heavy Atom Count
4
Complexity
29
Defined Atom Stereocenter Count
0
SMILES
[15NH2][13C]([15NH2])=O
InChi Key
XSQUKJJJFZCRTK-VMIGTVKRSA-N
InChi Code
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1,2+1,3+1
Chemical Name
bis(15N)(azanyl)(113C)methanone
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

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)
DMSO: 250 mg/mL (3966.37 mM)
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 15.8655 mL 79.3273 mL 158.6546 mL
5 mM 3.1731 mL 15.8655 mL 31.7309 mL
10 mM 1.5865 mL 7.9327 mL 15.8655 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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