| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Thiamine-d3 hydrochloride targets the same biological pathways as unlabeled thiamine. Thiamine is a vital micronutrient that serves as a cofactor for several key enzymes involved in carbohydrate metabolism, including transketolase, pyruvate dehydrogenase, and alpha-ketoglutarate dehydrogenase. These enzymes are critical for the pentose phosphate pathway and the citric acid cycle. The compound also plays an essential role in nerve function and is required for the biosynthesis of neurotransmitters and other important cellular components. As an isotope-labeled tracer, it is used to quantify target protein binding and to study thiamine-dependent metabolic processes.
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| 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].
In vitro assays using thiamine-d3 are primarily analytical rather than functional. The compound is used as a stable isotope internal standard for the quantitative analysis of thiamine in biological matrices using LC-MS/MS. Typical applications include measuring thiamine concentrations in cell lysates, tissue homogenates, and plasma samples. For cellular studies, cells are cultured in defined media, and thiamine uptake and metabolism can be tracked using the deuterated tracer. The compound's metabolic role is identical to that of unlabeled thiamine-it acts as a cofactor for central metabolic enzymes in carbohydrate metabolism pathways. |
| ln Vivo |
In vivo studies using thiamine-d3 are primarily focused on pharmacokinetic and biodistribution investigations. The compound can be administered to animals (typically rodents) via oral or intravenous routes, after which blood and tissue samples are collected at various time points. The deuterated thiamine is extracted from biological samples and quantified using LC-MS/MS. These studies provide information on thiamine absorption, distribution, metabolism, and excretion, as well as its turnover in tissues. Such tracer studies are essential for understanding thiamine homeostasis and the effects of thiamine deficiency or supplementation in animal models of metabolic disorders.
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| Enzyme Assay |
Binding studies for thiamine-d3 generally involve competition assays with unlabeled thiamine for binding to thiamine-dependent enzymes such as transketolase or thiamine pyrophosphokinase. Purified enzymes can be incubated with the labeled compound under appropriate buffer conditions (typically 50 mM Tris-HCl, pH 7.5, containing metal cofactors such as Mg2+). Binding affinities can be determined using methods such as isothermal titration calorimetry (ITC) or surface plasmon resonance (SPR). Alternatively, the stable isotope label allows for the use of LC-MS/MS to quantify enzyme-bound thiamine after separation and digestion, providing a highly specific method for studying protein-ligand interactions.
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| Cell Assay |
Cellular assays using thiamine-d3 are typically designed to measure thiamine uptake, metabolism, or intracellular distribution. Cells (e.g., hepatocytes, neuronal cells) are cultured in thiamine-depleted or defined media before treatment with the deuterated compound at various concentrations (typically 1-100 uM). After incubation periods ranging from minutes to hours, cells are harvested, lysed, and processed for LC-MS/MS analysis to quantify intracellular thiamine and its phosphorylated metabolites (thiamine monophosphate, thiamine pyrophosphate). This approach allows researchers to study thiamine transport mechanisms, metabolic flux, and the effects of genetic or pharmacological manipulations on thiamine homeostasis.
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| Animal Protocol |
For in vivo tracer studies, thiamine-d3 hydrochloride is typically dissolved in water or saline and administered to rodents via oral gavage (1-50 mg/kg) or intravenous injection (0.1-10 mg/kg). Blood samples are collected from the tail vein or by cardiac puncture at predetermined time points (0, 15, 30, 60, 120, 240, 480 minutes post-dose). Tissues (liver, brain, kidney, heart) are harvested, homogenized, and extracted for analysis. The deuterated thiamine and its metabolites are quantified by LC-MS/MS. Data are used to calculate pharmacokinetic parameters including Cmax, Tmax, AUC, half-life, and bioavailability. This experimental design is standard for characterizing the absorption and disposition of thiamine and its analogs.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for thiamine-d3 hydrochloride is expected to mirror that of unlabeled thiamine hydrochloride. Thiamine is rapidly absorbed from the gastrointestinal tract via both active (saturable, carrier-mediated) and passive diffusion mechanisms. It is widely distributed throughout the body, with highest concentrations in the liver, heart, kidney, and brain. Thiamine is converted to its active form, thiamine pyrophosphate (TPP), in the liver and other tissues. Excess thiamine is excreted unchanged in urine. The plasma half-life of thiamine in humans is approximately 1-3 hours. The deuterium label is stable and does not significantly alter the pharmacokinetic properties of thiamine, as the isotope effect for such small molecules is generally minimal.
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| Toxicity/Toxicokinetics |
Thiamine is an essential nutrient with a well-established safety profile. Thiamine hydrochloride has low acute toxicity, with LD50 values in rodents typically exceeding 3,000 mg/kg orally. The primary safety concern with thiamine deficiency relates to the development of beriberi and Wernicke-Korsakoff syndrome. Thiamine supplementation is generally considered safe even at high doses, as excess thiamine is rapidly excreted in urine. The deuterated version, thiamine-d3 hydrochloride, is not expected to exhibit altered toxicity compared to the unlabeled compound. However, as with all research chemicals, appropriate safety precautions should be followed, including the use of personal protective equipment and handling in well-ventilated areas.
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| References | |
| Additional Infomation |
Thiamine-d3 hydrochloride is a stable isotope-labeled research tool, not an approved therapeutic drug. It is classified as an endogenous metabolite and vitamin. The compound is typically stored at -20degC under inert atmosphere, with an isotopic enrichment of approximately 95% deuterium. This labeled compound is particularly valuable in biological research applications such as metabolic flux analysis, quantitative proteomics (as a standard for cofactor-binding studies), and investigations of thiamine-related metabolic pathways in health and disease. Deuterated compounds have gained attention in drug development because deuterium substitution can alter the pharmacokinetic and metabolic characteristics of medications, though thiamine-d3 is used primarily as an analytical tracer rather than a drug candidate.
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| Molecular Formula |
C12H15D3CL2N4OS
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| Related CAS # |
Thiamine hydrochloride;67-03-8
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| Appearance |
Typically exists as solid at room temperature
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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.) |
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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