| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
This compound serves as a tracer or internal standard for quantitative assays. The non-labeled parent molecule, 6-Sulfatoxy Melatonin, is a major metabolite of melatonin, which acts as an agonist at melatonin receptors (MT1 and MT2). Melatonin, a hormone produced by the pineal gland, regulates the sleep-wake cycle (circadian rhythm). 6-Sulfatoxy Melatonin is the primary metabolite used as a biomarker for melatonin production and circadian phase.
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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].
As an internal standard, the labeled compound has no direct biological activity. The non-labeled parent, 6-Sulfatoxy Melatonin, is the primary metabolite of melatonin. Its urinary concentration reflects the total melatonin production by the pineal gland, making it a valuable biomarker for circadian rhythm phase and amplitude. The primary role of the metabolite is to serve as an index of melatonin secretion. |
| ln Vivo |
As a tracer or internal standard, the labeled compound has no in vivo activity. The non-labeled metabolite, 6-Sulfatoxy Melatonin, is used as a biomarker for melatonin production. Its levels in urine or saliva are measured to assess circadian rhythmicity, pineal function, and the effects of interventions that may alter melatonin secretion. This can be measured in animals to study chronobiology.
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| Enzyme Assay |
The labeled compound is not used for enzyme/receptor binding assays. It serves as an internal standard for LC-MS/MS quantification of the non-labeled metabolite. A standard analytical protocol involves spiking a known amount of the deuterated internal standard into biological samples (plasma, urine, or tissue homogenates). After protein precipitation and solid-phase extraction, the sample is injected onto a C18 column. The metabolite and internal standard are detected in MRM mode, and the peak area ratio is used for precise quantification.
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| Cell Assay |
The compound is not used in cell viability assays. It is added as an internal standard to cellular extracts for LC-MS/MS analysis. For example, cells or tissues are homogenized in a suitable buffer, and the d4-internal standard is spiked into the homogenate at a known concentration. After protein precipitation, the supernatant is analyzed by LC-MS/MS to measure the concentration of endogenous melatonin or its metabolites.
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| Animal Protocol |
The internal standard is not administered directly. In an animal study, it is used as a reagent for analyzing collected samples. For instance, in a pharmacokinetic or chronobiology study, rats or mice are kept under controlled light/dark cycles, and blood or urine samples are collected at various time points. The d4-labeled internal standard is spiked into these samples to accurately measure the concentration of 6-Sulfatoxy Melatonin, allowing researchers to assess melatonin production and circadian rhythm phase.
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| ADME/Pharmacokinetics |
The compound has a molecular formula of C13H12D4N2O5S and a molecular weight of 332.36. It is soluble in water and organic solvents such as methanol and DMSO. The sodium salt is highly water-soluble, facilitating its use in aqueous analytical systems. For long-term storage, the powder should be kept at -20degC, protected from light and moisture. Stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
The deuterium-labeled compound is non-toxic at the trace concentrations used for analytical purposes. The non-labeled parent, 6-Sulfatoxy Melatonin, is an endogenous metabolite. No toxicity is associated with its presence. The compound is "For research use only" and not for human therapeutic or diagnostic use.
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| References | |
| Additional Infomation |
6-Sulfatoxy Melatonin-d4 sodium is a research-grade stable isotope-labeled chemical used as an internal standard for LC-MS/MS quantification. It is not a drug and has no FDA approval for therapeutic use. It is used in pharmaceutical research for biomarker quantitation of melatonin and its metabolites to study circadian rhythms, sleep disorders, and the pharmacokinetics of melatonin-based therapies. The compound is an important tool in chronobiology and neuroendocrinology.
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| Molecular Formula |
C13H11D4N2NAO6S
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| Molecular Weight |
354.35
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| Appearance |
White to off-white solid powder
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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 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)
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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 | 2.8221 mL | 14.1103 mL | 28.2207 mL | |
| 5 mM | 0.5644 mL | 2.8221 mL | 5.6441 mL | |
| 10 mM | 0.2822 mL | 1.4110 mL | 2.8221 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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