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Mevalonic acid-13C,d3 sodium

Cat No.:V48008 Purity: ≥98%
Mevalonic acid-13C,d3 (sodium) is a 13C- and deuterated labeled Mevalonic acid.
Mevalonic acid-13C,d3 sodium
Mevalonic acid-13C,d3 sodium Chemical Structure CAS No.: 2747918-57-4
Product category: New3
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
Other Sizes
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Product Description
Mevalonic acid-13C,d3 (sodium) is a 13C- and deuterated labeled Mevalonic acid.
Mevalonic acid-13C,d3 sodium (2747918-57-4) is a stable isotope-labeled form of mevalonic acid, with a combination of carbon-13 and deuterium labeling. Mevalonic acid is a key intermediate in the mevalonate pathway, which synthesizes cholesterol and isoprenoids. This labeled analog is used as an internal standard or tracer in LC-MS/MS studies of cholesterol and isoprenoid biosynthesis.
Biological Activity I Assay Protocols (From Reference)
Targets
Target: Isotope-Labeled Compounds / HMG-CoA Reductase Pathway. Mevalonic acid is the product of HMG-CoA reductase, the rate-limiting enzyme of the mevalonate pathway that produces cholesterol, dolichol, ubiquinone, and isoprenoids. It is a key intermediate in sterol and isoprenoid biosynthesis. The labeled version is an analytical standard, not a pharmacological target.
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 matter for concern [11].
In vitro, stable heavy isotopes of carbon and hydrogen are incorporated into drug molecules as tracers for quantitation during drug development. No specific cell-based activity is reported for the labeled form beyond its use as a tracer for metabolic flux studies in cultured cells (e.g., hepatocytes, cancer cells).
ln Vivo
In vivo, the unlabeled mevalonic acid is an endogenous metabolite produced from HMG-CoA via HMG-CoA reductase. The labeled standard is used in metabolic tracer studies to investigate the mevalonate pathway in animal models after oral or IV administration. It does not exert direct pharmacological activity but is a valuable tool for studying cholesterol and isoprenoid metabolism.
Enzyme Assay
For cell-free assays: plasma, tissue homogenates, or cell lysates are spiked with Mevalonic acid-13C,d3 sodium internal standard. After protein precipitation with acetonitrile/methanol or solid-phase extraction, the samples are derivatized (if needed) and analyzed by LC-MS/MS or GC-MS. Quantitation of mevalonic acid or related metabolites (e.g., mevalonate-5-phosphate) is based on the analyte/internal standard peak area ratio. Isotope dilution mass spectrometry is used to correct for matrix effects.
Cell Assay
For cell assays: hepatocytes or other cell lines are incubated in media containing Mevalonic acid-13C,d3 sodium (typically 10-100 uM, 2-24 h) to trace mevalonate pathway flux. Cells are harvested, lipids and isoprenoids are extracted, and labeled metabolites (cholesterol, dolichol, ubiquinone, geranylgeranyl pyrophosphate) are analyzed by LC-MS/MS to quantify incorporation of the labeled tracer into downstream products, revealing pathway activity and flux rates.
Animal Protocol
For animal studies: mice or rats are administered Mevalonic acid-13C,d3 sodium via oral gavage, intraperitoneal injection, or intravenous infusion (typically 10-50 mg/kg). Serial blood samples are collected, and tissues (liver, adipose, muscle, brain) are harvested post-mortem. The labeled internal standard is used in LC-MS/MS analysis to quantify mevalonic acid and its metabolites in these samples for metabolic flux analysis and to study the effects of statins or other HMG-CoA reductase inhibitors on the mevalonate pathway.
ADME/Pharmacokinetics
PK properties of mevalonic acid: it is an endogenous intermediate with a very short half-life (<1 h). Exogenous mevalonic acid is rapidly cleared from plasma and taken up by tissues, particularly the liver, where it is phosphorylated to mevalonate-5-phosphate by mevalonate kinase. It is further metabolized to isopentenyl pyrophosphate (IPP) and then to cholesterol and other isoprenoids. Excretion occurs mainly as CO2 via respiration. The labeled standard does not alter PK.
Toxicity/Toxicokinetics
No toxicity data are available for the labeled standard. Mevalonic acid is an endogenous metabolite and is considered non-toxic at physiological levels. The labeled compound is for research use only and is not intended for human therapeutic administration. It is non-hazardous for transport under normal laboratory conditions. Not for human consumption.
References

[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223.

Additional Infomation
Mevalonic acid-13C,d3 sodium is a research standard, not a drug. It is not FDA-approved for clinical use. It is used in metabolic research to study the mevalonate pathway, cholesterol biosynthesis, and isoprenoid metabolism in health and disease (e.g., hypercholesterolemia, cancer, neurodegenerative diseases). It is an essential tool for investigating the mechanism of statin drugs and for developing new therapies targeting the mevalonate pathway. The labeled compound is also used in quality control for statin manufacturing.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Exact Mass
174.078
CAS #
2747918-57-4
PubChem CID
163322125
Appearance
Colorless to light yellow ointment
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Heavy Atom Count
11
Complexity
128
Defined Atom Stereocenter Count
0
SMILES
[2H][13C]([2H])([2H])C(CCO)(CC(=O)[O-])O.[Na+]
InChi Key
RIYNLCMADQUBEM-SPZGMPHYSA-M
InChi Code
InChI=1S/C6H12O4.Na/c1-6(10,2-3-7)4-5(8)9;/h7,10H,2-4H2,1H3,(H,8,9);/q;+1/p-1/i1+1D3;
Chemical Name
sodium 3,5-dihydroxy-3-(trideuterio(113C)methyl)pentanoate
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.)
Calculator

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

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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.

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:
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  • 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:
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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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