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Citric acid-13C6 (citric acid 13C6)

Cat No.:V52795 Purity: ≥98%
Citric acid-13C6 is a 13C (carbon 13)-labeled Citric acid.
Citric acid-13C6 (citric acid 13C6)
Citric acid-13C6 (citric acid 13C6) Chemical Structure CAS No.: 287389-42-8
Product category: Apoptosis
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 Citric acid-13C6 (citric acid 13C6):

  • Dimethyl Citric acid
  • Hydroxycitric acid
  • Citric acid-2,4-13C2 (citric acid-2,4-13C2)
  • 2-Methylcitric acid-d3 (Methylcitric acid-d3)
  • Isocitric acid
  • Citric acid
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Top Publications Citing lnvivochem Products
Product Description
Citric acid-13C6 is a 13C (carbon 13)-labeled Citric acid. Citric acid is a weak organic tricarboxylic acid found in citrus fruits. Citric acid is a natural preservative and food additive.
Citric acid-13C6 (CAS 287389-42-8) is a uniformly ¹³C-labeled isotopologue of citric acid, wherein all six carbon atoms are substituted with the stable carbon-13 isotope. Citric acid is a weak organic tricarboxylic acid found in citrus fruits and is a natural preservative and food additive. This labeled compound is essential for studies involving metabolic pathways, the Krebs cycle, and cellular respiration. It is used as a tracer in advanced pharmaceutical and biochemical research.
Biological Activity I Assay Protocols (From Reference)
Targets
Citric acid-13C6 itself does not have a traditional biological target; it is a stable isotope-labeled tracer. The parent compound citric acid is a key intermediate in the citric acid cycle (Krebs cycle), which is central to cellular respiration in aerobic organisms. Citric acid-13C6 is used to track carbon flux through metabolic pathways, including the TCA cycle, gluconeogenesis, and fatty acid synthesis. It serves as a metabolic tracer for studying energy metabolism and biosynthetic pathways.
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].
Citric acid-13C6 does not exhibit direct in vitro biological activity as it is an isotopically labeled tracer rather than a bioactive compound. However, the parent compound citric acid is a naturally occurring metabolite involved in energy production and biosynthesis. In cell culture studies, citric acid-13C6 is used to trace metabolic pathways by monitoring the incorporation of ¹³C into downstream metabolites using mass spectrometry.
ln Vivo
Citric acid-13C6 is not administered as a therapeutic agent; it is used as a metabolic tracer in in vivo studies. When administered to animal models, it allows researchers to track carbon flow through metabolic pathways, including the TCA cycle, lipogenesis, and gluconeogenesis. The labeled compound is used to study metabolic flux, assess mitochondrial function, and investigate metabolic disorders such as diabetes and obesity.
Enzyme Assay
In vitro enzyme/receptor binding assays for citric acid-13C6 are not applicable, as it is a metabolic tracer rather than a bioactive compound. Quality control assays involve HPLC or mass spectrometry to verify isotopic purity (≥98 atom % ¹³C) and chemical purity. The compound is also tested for solubility and stability under recommended storage conditions. It is soluble in water and other polar solvents.
Cell Assay
In vitro cellular assays for citric acid-13C6 involve metabolic tracing studies rather than traditional bioactivity assays. Cells are cultured in media containing citric acid-13C6, and the incorporation of ¹³C into metabolic intermediates is measured by LC-MS or GC-MS. These studies allow researchers to quantify metabolic flux through the TCA cycle and other pathways. The compound is used to study cellular metabolism in various cell types, including cancer cells and primary cells.
Animal Protocol
In vivo animal studies for citric acid-13C6 involve metabolic tracing experiments. Animals are administered citric acid-13C6 via oral, intravenous, or intraperitoneal routes. Blood, tissues, and excreta are collected at various time points, and the ¹³C enrichment in metabolites is measured by mass spectrometry. These studies provide insights into whole-body metabolism, including glucose and lipid metabolism, and are used in metabolic disease research.
ADME/Pharmacokinetics
Citric acid-13C6 has a molecular formula of ¹³C₆H₈O₇ and a molecular weight of 198.08. The compound appears as a white crystalline powder with a purity of ≥98% and an isotopic enrichment of ≥98 atom % ¹³C. It is soluble in water and is stable under recommended storage conditions. The compound is intended for research use only and is not for human consumption.
Toxicity/Toxicokinetics
The toxicity profile of citric acid-13C6 is not extensively characterized, as it is a stable isotope-labeled tracer rather than a therapeutic agent. The parent compound citric acid is generally recognized as safe (GRAS) as a food additive and is naturally present in the body. Standard safety data for handling isotopically labeled compounds in laboratory settings would apply. Citric acid-13C6 is intended for research use only and is not approved for clinical use.
References

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

[2]. Citric acid induces cell-cycle arrest and apoptosis of human immortalized keratinocyte cell line (HaCaT) via caspase- and mitochondrial-dependent signaling pathways. Anticancer Res. 2013 Oct;33(10):4411-20.

[3]. Citric acid effects on brain and liver oxidative stress in lipopolysaccharide-treated mice. J Med Food. 2014 May;17(5):588-98.

[4]. Stimulation by citric acid of calcium and phosphorus bioavailability in rats fed a calcium-rich diet. Miner Electrolyte Metab. 1997;23(2):79-87.

[5]. Citric acid inhibits development of cataracts, proteinuria and ketosis in streptozotocin (type 1) diabetic rats. Biochem Biophys Res Commun. 2010 Feb 26;393(1):118-22.

Additional Infomation
Citric acid-13C6 (CAS 287389-42-8) is a uniformly ¹³C-labeled isotopologue of citric acid, wherein all six carbon atoms are substituted with the stable carbon-13 isotope. It has a molecular formula of ¹³C₆H₈O₇ and a molecular weight of 198.08. Citric acid is a weak organic tricarboxylic acid found in citrus fruits and is a natural preservative. This labeled compound is essential for studies involving metabolic pathways, the Krebs cycle, and cellular respiration. It is intended for research use only and is not approved for clinical use.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
13C6H8O7
Molecular Weight
198.08
Exact Mass
198.047
CAS #
287389-42-8
Related CAS #
Citric acid;77-92-9
PubChem CID
16217547
Appearance
White to light yellow solid powder
Melting Point
153-159 °C(lit.)
LogP
-1.7
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
5
Heavy Atom Count
13
Complexity
227
Defined Atom Stereocenter Count
0
SMILES
[13CH2]([13C](=O)O)[13C]([13CH2][13C](=O)O)([13C](=O)O)O
InChi Key
KRKNYBCHXYNGOX-IDEBNGHGSA-N
InChi Code
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1+1,2+1,3+1,4+1,5+1,6+1
Chemical Name
2-hydroxy(1,2,3-13C3)propane-1,2,3-tricarboxylic acid
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)
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 5.0485 mL 25.2423 mL 50.4847 mL
5 mM 1.0097 mL 5.0485 mL 10.0969 mL
10 mM 0.5048 mL 2.5242 mL 5.0485 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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