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Creatinine-D3

Alias: CreatinineD3; Creatinine D3
Cat No.:V37963 Purity: ≥98%
Creatinine-d3 is a deuterium labelled form ofCreatinine.
Creatinine-D3
Creatinine-D3 Chemical Structure CAS No.: 143827-20-7
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
100mg
Other Sizes
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Product Description
Creatinine-d3 is a deuterium labelled form ofCreatinine. Creatinine is a breakdown product of creatine phosphate in muscles.
Creatinine-D3 (CAS 143827-20-7) is a stable isotope-labeled internal standard used for the accurate quantification of creatinine by gas chromatography-mass spectrometry (GC-MS) or liquid chromatography-mass spectrometry (LC-MS). It is a deuterated analog of creatinine, incorporating three deuterium atoms at the N-methyl position. With a molecular weight of 116.14 g/mol and the formula C₄H₄D₃N₃O, this compound is widely used in clinical chemistry, bioanalytical research, and forensic analysis. Creatinine-D3 serves as the gold standard for accuracy and precision in mass spectrometry-based quantification of endogenous creatinine. Its use corrects for matrix effects, ion suppression, and variations in sample preparation, ensuring reliable and reproducible results.
Biological Activity I Assay Protocols (From Reference)
Targets
Creatinine-D3 does not exert a pharmacological action; rather, it is used as an analytical standard. Its role is to serve as an internal standard for the quantification of endogenous creatinine in biological samples such as serum, plasma, and urine. Creatinine itself is synthesized in the kidney, liver, and pancreas and is transported in the blood to muscle and brain, where it is phosphorylated to phosphocreatine. By using Creatinine-D3 as an internal standard, researchers can accurately measure creatinine levels, which are important biomarkers for renal function assessment and muscle mass measurement.
ln Vitro
In vitro, Creatinine-D3 is used as an internal standard in the development and validation of LC-MS and GC-MS methods for creatinine quantification. It is spiked into biological samples at a known concentration prior to sample preparation. The ratio of the peak area of endogenous creatinine to that of Creatinine-D3 is used to calculate the concentration of creatinine in the sample. This approach corrects for variability in the analytical process, including ion suppression, matrix effects, and extraction efficiency. Creatinine-D3 is also used in method validation studies to assess accuracy, precision, and linearity.
ln Vivo
In vivo, Creatinine-D3 is not administered as a therapeutic agent; it is used exclusively as an analytical standard. However, its use in quantifying creatinine levels in clinical samples has important implications for patient care. Accurate measurement of creatinine is essential for estimating glomerular filtration rate (eGFR), which is used to diagnose and monitor kidney disease. Creatinine-D3 is also used in urine drug testing and forensic analysis to correct for sample dilution and ensure accurate results. Its application in these settings helps to improve the reliability of clinical diagnoses and forensic determinations.
Enzyme Assay
In vitro enzyme/receptor binding assays are not applicable to Creatinine-D3, as it is an analytical standard rather than a pharmacologically active compound. However, its use in analytical chemistry involves validation of the mass spectrometric method. The assay typically involves preparing a series of calibration standards containing known concentrations of creatinine and a fixed concentration of Creatinine-D3. These standards are analyzed by LC-MS or GC-MS, and the peak area ratios are plotted against the concentrations to generate a calibration curve. The method is then validated for accuracy, precision, and linearity according to regulatory guidelines.
Cell Assay
In vitro cellular experiments are not applicable to Creatinine-D3, as it is an analytical standard used in mass spectrometry. The compound is not used to treat cells or study biological pathways. Instead, it is added to biological samples such as cell culture media or lysates to serve as an internal standard for the quantification of creatinine. The samples are then processed and analyzed by LC-MS or GC-MS. The use of Creatinine-D3 in this context ensures that the quantification of creatinine is accurate and reproducible, even in complex biological matrices.
Animal Protocol
In vivo animal studies are not applicable to Creatinine-D3, as it is not a therapeutic agent. However, the compound is used in the analysis of samples from animal studies. For example, in pharmacokinetic or toxicology studies, Creatinine-D3 is used as an internal standard to measure creatinine levels in plasma or urine samples from treated animals. This helps to monitor renal function and detect any drug-induced nephrotoxicity. The accurate quantification of creatinine is essential for interpreting the results of these studies and assessing the safety of test compounds.
ADME/Pharmacokinetics
Pharmacokinetic properties are not applicable to Creatinine-D3, as it is used as an analytical standard rather than a therapeutic agent. The compound is not designed to exert a pharmacological effect, and its distribution, metabolism, and excretion are not studied in the context of drug development. Instead, Creatinine-D3 is used to quantify endogenous creatinine, which is a biomarker of renal function. The half-life of endogenous creatinine in the body is approximately 3-4 hours, and it is cleared primarily by glomerular filtration.
Toxicity/Toxicokinetics
Toxicology is not applicable to Creatinine-D3, as it is used as an analytical standard rather than a therapeutic agent. The compound is not intended for human or animal administration, and its toxicity profile has not been characterized. However, as a stable isotope-labeled compound, Creatinine-D3 is considered safe for handling in the laboratory under standard safety precautions. It is not known to be toxic, mutagenic, or carcinogenic. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment.
References

[1]. Allen, P.J., Creatine metabolism and psychiatric disorders: Does creatine supplementation have therapeutic value. Neurosci Biobehav Rev, 2012. 36(5): p. 1442-62.

Additional Infomation
Creatinine-D3 is a critical tool in clinical chemistry and bioanalytical research, serving as the gold standard internal standard for the quantification of creatinine by mass spectrometry. Its use corrects for matrix effects and ion suppression, ensuring accurate and reliable results. Creatinine is an important biomarker for renal function, and its accurate measurement is essential for diagnosing and monitoring kidney disease. Creatinine-D3 is also used in urine drug testing, forensic analysis, and clinical diagnostics. Its stable isotope labeling ensures that it behaves identically to endogenous creatinine during sample preparation and analysis, making it an indispensable tool in analytical chemistry.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C?H?D?N?O
Molecular Weight
113.11788
Exact Mass
116.077
CAS #
143827-20-7
PubChem CID
136212971
Appearance
White to off-white solid powder
Density
1.5±0.1 g/cm3
Melting Point
255ºC (dec.)(lit.)
Index of Refraction
1.651
LogP
-1.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Heavy Atom Count
8
Complexity
142
Defined Atom Stereocenter Count
0
SMILES
[2H]C([2H])([2H])N1CC(=O)NC1=N
InChi Key
DDRJAANPRJIHGJ-FIBGUPNXSA-N
InChi Code
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)/i1D3
Chemical Name
2-imino-1-(trideuteriomethyl)imidazolidin-4-one
Synonyms
CreatinineD3; Creatinine D3
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, 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 Vitro)
H2O : ~83.33 mg/mL (~717.50 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 8.8402 mL 44.2008 mL 88.4017 mL
5 mM 1.7680 mL 8.8402 mL 17.6803 mL
10 mM 0.8840 mL 4.4201 mL 8.8402 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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