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| Targets |
Acetylcarnitine-d3 is a tracer that targets metabolic pathways. As the deuterated form of endogenous acetyl-L-carnitine, it is taken up by cells and participates in the same metabolic processes as the non-labeled compound. Its primary role is to serve as an internal standard for mass spectrometry-based assays. The non-deuterated form, acetyl-L-carnitine, is a well-known molecule that facilitates the transport of fatty acids into the mitochondrial matrix for beta-oxidation and links mitochondrial metabolism to histone acetylation and lipogenesis. Acetylcarnitine-d3 is used to accurately quantify the endogenous molecule.
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| ln Vitro |
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Studies involving the human use of drugs labeled with deuterium suggest that these compounds may offer some advantages when compared with their nondeuterated counterparts. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. Deutetrabenazine is the first deuterated drug to receive Food and Drug Administration approval. This deuterated form of the drug tetrabenazine is indicated for the treatment of chorea associated with Huntington's disease as well as tardive dyskinesia. Ongoing clinical trials suggest that a number of other deuterated compounds are being evaluated for the treatment of human diseases and not merely as research tools.
In vitro activity refers to its use as an analytical tool rather than a pharmacologically active agent. Acetylcarnitine-d3 is used as an internal standard in in vitro assays to measure the concentration of the endogenous metabolite acetylcarnitine in various biological matrices (e.g., cell lysates, plasma, urine, tissue homogenates). It is added to samples at a known concentration to correct for matrix effects and variability in sample preparation (e.g., protein precipitation, liquid-liquid extraction). In cell culture, it can be used to study carnitine metabolism and flux through the carnitine shuttle by tracing the deuterium label via LC-MS/MS. |
| ln Vivo |
Deuterated compounds may, in some cases, offer advantages over nondeuterated forms, often through alterations in clearance. Deuteration may also redirect metabolic pathways in directions that reduce toxicities. The approval of additional deuterated compounds may soon follow. Clinicians will need to be familiar with the dosing, efficacy, potential side effects, and unique metabolic profiles of these new entities.
In vivo, acetylcarnitine-d3 is not administered as a therapeutic drug but as a tracer for metabolic studies. When administered orally or intravenously to animals, it distributes to tissues and is metabolized similarly to endogenous acetylcarnitine. Blood and tissue samples are collected over time, and the deuterium-labeled compound and its metabolites are quantified by LC-MS/MS to study the absorption, distribution, metabolism, and excretion (ADME) of carnitine. This allows researchers to understand the in vivo dynamics of this key metabolic molecule in conditions like diabetes, liver disease, and neurological disorders. |
| Enzyme Assay |
For non-cellular enzyme/receptor binding experiments, acetylcarnitine-d3 is typically used as a substrate in enzymatic assays or as a reference standard in binding studies. A general protocol: Dissolve the compound in a suitable buffer (e.g., Tris-HCl, pH 7.4). For assays involving carnitine acetyltransferase (CrAT), the compound is mixed with enzyme and coenzyme A (CoA) in a microplate. The reaction is initiated by the addition of acetyl-CoA. The product, CoA, can be measured using Ellman's reagent (DTNB) at 412 nm. The deuterated version allows for parallel MS detection, but the colorimetric activity is based on the non-labeled version.
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| Cell Assay |
For in vitro cell assays, acetylcarnitine-d3 is used primarily as an analytical internal standard. For a typical metabolite extraction protocol: Cell pellets are homogenized in ice-cold methanol/acetonitrile/water (2:1:1, v/v/v) containing the deuterated internal standard at a predetermined concentration (e.g., 1 ng/mg tissue). After centrifugation, the supernatant is collected and analyzed by LC-MS/MS. The peak area of the endogenous acetylcarnitine is compared to the peak area of the deuterated standard to calculate the absolute concentration of the metabolite. No biological activity assays (like MTT) are performed with the labeled compound itself, as it serves only as a tracer.
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| Animal Protocol |
For in vivo animal experiments, acetylcarnitine-d3 is administered to rodents to study in vivo metabolism. A typical protocol: Male C57BL/6 mice (8-10 weeks old, n=5/group) are fasted overnight and then administered acetylcarnitine-d3 via oral gavage (e.g., 10-50 mg/kg) dissolved in water or saline. Blood samples are collected from the tail vein at 0, 15, 30, 60, 120, and 240 minutes post-administration. Plasma is separated and proteins are precipitated with acetonitrile containing an internal standard. The samples are analyzed by LC-MS/MS to measure the pharmacokinetics of the tracer. Tissues such as liver, muscle, and brain are collected at the terminal time point for distribution analysis.
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| ADME/Pharmacokinetics |
Pharmacokinetics (PK): Acetylcarnitine-d3 is not a drug, but its PK properties are used to model endogenous carnitine flux. After oral administration in animals, it is rapidly absorbed from the GI tract. Peak plasma levels are reached within 1-2 hours (Tmax). The terminal half-life (t½) in plasma is short, approximately 1-2 hours. The volume of distribution (Vd) is moderate (~0.5-1 L/kg), indicating distribution to extracellular fluid. It is cleared primarily by the kidneys via glomerular filtration, with some reabsorption. Tissue distribution is highest in the liver, muscle, and heart. The total clearance (CL) is approximately 5-10 mL/min/kg. Bioavailability (F) is high (~80%).
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| Toxicity/Toxicokinetics |
Toxicity: Acetylcarnitine-d3, as a deuterated version of an endogenous, essential molecule, is generally recognized as non-toxic at the concentrations used for analytical or tracer studies (typically ug to mg/kg doses). At very high doses, carnitine supplements can cause gastrointestinal distress (nausea, vomiting, diarrhea) and a fishy body odor due to trimethylamine production. No specific toxicities are reported for the deuterated form. Standard laboratory safety precautions: avoid inhalation and ingestion. Use personal protective equipment (gloves, lab coat). Waste disposal: follow local regulations for chemical waste. Not for human use.
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| Additional Infomation |
Other information: Acetylcarnitine-d3 is also known as Acetyl-L-carnitine-(N-methyl-d3). Molecular formula: C9H14D3NO4; Molecular weight: 206.26. Optical activity: [alpha]/D -22+/-2deg, c = 0.1 in H2O. Appearance: White to off-white powder. Purity: ≥97.0% (TLC). Storage: Powder: -20degC for 3 years; In solvent: -80degC for 1 year. Shipping: blue ice or ambient temperature. For research use only-not for human diagnostic or therapeutic use. Used as a stable isotope internal standard for LC-MS/MS quantitation in metabolomics.
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| Molecular Formula |
C9H14D3NO4
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| Molecular Weight |
206.25
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| Exact Mass |
206.135
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| CAS # |
204259-54-1
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| Related CAS # |
Acetylcarnitine; 14992-62-2
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| Appearance |
Typically exists as solids at room temperature
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| LogP |
-4.15
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| SMILES |
O=C(C)OC(C[N+](C)(C)C([2H])([2H])[2H])CC([O-])=O
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| HS Tariff Code |
2934.99.9001
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| 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)
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| 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
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.8485 mL | 24.2424 mL | 48.4848 mL | |
| 5 mM | 0.9697 mL | 4.8485 mL | 9.6970 mL | |
| 10 mM | 0.4848 mL | 2.4242 mL | 4.8485 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.
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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