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(±)-2-Methylbutyryl-L-carnitine-d3 chloride

Cat No.:V77397 Purity: ≥98%
(±)-2-Methylbutyryl-L-carnitine-d3 (chloride) is the deuterium labelled form of (±)-2-Methylbutyryl-L-carnitine chloride.
(±)-2-Methylbutyryl-L-carnitine-d3 chloride
(±)-2-Methylbutyryl-L-carnitine-d3 chloride Chemical Structure Product category: Isotope-Labeled Compounds
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
Other Sizes
Official Supplier of:
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Product Description
(±)-2-Methylbutyryl-L-carnitine-d3 (chloride) is the deuterium labelled form of (±)-2-Methylbutyryl-L-carnitine chloride.
(+/-)-2-Methylbutyryl-L-carnitine-d3 chloride is a deuterium-labeled internal standard (isotopically labeled compound) intended for use in quantitative mass spectrometry assays. It is the isotopic variant of 2-Methylbutyryl-L-carnitine (a naturally occurring acylcarnitine metabolite), where three hydrogen atoms are replaced with deuterium (d3), typically on the N-methyl group.
Biological Activity I Assay Protocols (From Reference)
Targets
For analytical chemistry purposes, the "target" is the analyte of interest (2-Methylbutyryl-L-carnitine). The deuterated (d3) internal standard has nearly identical physicochemical properties (extraction efficiency, chromatography retention time, ionization efficiency) as the non-labeled analyte, but is distinguishable by mass spectrometry due to the mass shift, enabling precise quantification.
ln Vitro
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as tracers for quantification throughout the drug development process. Due to its potential to alter the pharmacokinetic and metabolic characteristics of medications, deuteration has drawn attention[1].
The "activity" is not biological but analytical. It exhibits identical extraction recovery, chromatographic retention time, and ionization response as the natural compound (within batch-to-batch variability). It does not bind to or inhibit any biological enzyme. It is chemically stable and does not degrade during typical sample preparation protocols.
ln Vivo
There are no in vivo pharmacological activities of interest as this compound is not a drug candidate; it is strictly an analytical reagent. If administered in vivo, it would be metabolized identically to endogenous 2-Methylbutyryl-L-carnitine, but it is not intended for dosing in living animals. Its use is confined to the bioanalysis of biological samples.
Enzyme Assay
A typical LC-MS/MS assay protocol involves adding a known amount of the deuterated internal standard (d3) to biological samples (e.g., plasma, urine, tissue homogenate). After protein precipitation with organic solvent (e.g., acetonitrile) and centrifugation, the supernatant is injected into an LC-MS/MS system equipped with a C18 column. The internal standard is monitored in MRM mode.
Cell Assay
Standard curves are prepared by spiking known concentrations of the non-labeled analyte into blank matrix, along with a fixed concentration of the internal standard. The internal standard is added to all samples, standards, and QCs at the beginning of the extraction process. The peak area ratio of analyte to internal standard is plotted versus nominal concentration. The linearity (R2 > 0.99), accuracy (85-115%), and precision (CV < 15%) must meet acceptance criteria.
Animal Protocol
As an analytical internal standard, (2S)-N3-IsoSer is not used in animal experiments as a therapeutic agent. It is used in "preclinical" settings as a tool for analyzing pharmacokinetic and pharmacodynamic data. Specifically, it is used to quantify levels of endogenous or exogenous 2-Methylbutyryl-L-carnitine in samples taken from animals treated with other compounds.
ADME/Pharmacokinetics
The key properties include high isotopic enrichment (typically >99 atom % D), chemical stability under recommended storage conditions (long-term stability at -20degC), and chromatographic co-elution with the non-labeled analyte. It is a stable isotope compound. It does not have classic PK parameters (AUC, Cmax, t1/2) as it is not dosed in vivo as a therapeutic.
Toxicity/Toxicokinetics
Toxicity data is not applicable as the compound is used in vitro for mass spectrometry analysis at nanomolar to micromolar concentrations and is not administered to living systems for therapeutic effect. The compound is considered non-toxic for its intended analytical use. Standard laboratory safety precautions for handling fine chemicals apply.
References

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

Additional Infomation
(+/-)-2-Methylbutyryl-L-carnitine-d3 chloride is a specialized stable isotope-labeled biochemical. It is not a drug, has no FDA approval for therapy, and is not in clinical trials. It is manufactured for research use only (RUO). It is used as an internal standard for the quantification of 2-Methylbutyryl-L-carnitine (a metabolite involved in fatty acid oxidation disorders) by GC-MS or LC-MS in clinical metabolomics and newborn screening research.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C12H21D3CLNO4
Molecular Weight
284.79
Appearance
White to off-white solid powder
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 3.5114 mL 17.5568 mL 35.1136 mL
5 mM 0.7023 mL 3.5114 mL 7.0227 mL
10 mM 0.3511 mL 1.7557 mL 3.5114 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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