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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Melatonin D4 targets the same receptors as its unlabeled parent compound. Melatonin is a hormone that activates/agonizes melatonin receptors. It has antioxidant and anti-inflammatory properties and is a novel selective ATF-6 inhibitor that induces apoptosis in human hepatocellular carcinoma cells through down-regulation of COX-2.
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| ln Vitro |
Melatonin D4 is primarily used as an analytical internal standard rather than for its pharmacological activity. Melatonin itself is a hormone that mediates photoperiodicity in mammals, inhibits cerebellar nitric oxide synthetase, and acts as a peroxynitrite scavenger. It has complex effects on apoptotic pathways, inhibiting apoptosis in immune cells and neurons but enhancing apoptotic cell death of cancer cells.
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| ln Vivo |
Melatonin D4 is used in pharmacokinetic studies as an internal standard for the quantification of Melatonin. Melatonin is a hormone that plays a critical role in regulating circadian rhythms and sleep-wake cycles. The deuterium-labeled compound can be co-administered with unlabeled Melatonin to accurately study absorption, distribution, metabolism, and excretion (ADME) profiles using LC-MS/MS.
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| Enzyme Assay |
In vitro assays for Melatonin D4 are typically performed as part of analytical method validation. The compound is used as an internal standard in LC-MS/MS assays for the quantification of Melatonin. It is dissolved in an appropriate solvent and spiked into biological matrices at known concentrations. Calibration curves are generated by plotting the peak area ratio of Melatonin to Melatonin D4 against the concentration of Melatonin.
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| Cell Assay |
For in vitro cell-based assays, Melatonin D4 can be used in studies investigating Melatonin's cellular effects, though its primary use is as an analytical internal standard. Cells expressing melatonin receptors are cultured and treated with the compound. Receptor activation is measured by quantifying downstream signaling pathways. However, due to its role as an internal standard, it is more frequently used in the analytical quantification of the parent compound.
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| Animal Protocol |
In vivo animal studies with Melatonin D4 are primarily pharmacokinetic. The compound is administered orally or intravenously to rodents, and blood samples are collected at predetermined time points. Plasma concentrations of both labeled and unlabeled Melatonin are analyzed by LC-MS/MS using Melatonin D4 as the internal standard. Pharmacodynamic effects, such as circadian rhythm modulation, can be evaluated in appropriate models.
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| ADME/Pharmacokinetics |
Melatonin D4 (CAS: 66521-38-8) has a molecular weight of 236.30 g/mol and a molecular formula of C13H12D4N2O2. Chemical name: N-[2-(5-methoxy-1H-indol-3-yl)(1,1,2,2-²H₄)ethyl]acetamide. Appearance: solid powder. Storage: -20°C. The compound is a deuterated form of Melatonin used as an internal standard for analytical and pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
Melatonin D4 is used in very small quantities as an analytical internal standard and does not pose significant toxicity risks under normal handling. As a deuterium-labeled analog of an endogenous hormone, it is expected to have a similar pharmacological profile to Melatonin, but toxicology studies are typically not performed on the labeled compound. Melatonin is generally well-tolerated with a favorable safety profile.
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| References |
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| Additional Infomation |
Melatonin D4 (Melatonin-d4) is a deuterium-labeled form of Melatonin, a hormone produced by the pineal gland that activates melatonin receptors. It has a molecular weight of 236.30 g/mol and a molecular formula of C13H12D4N2O2. The compound is intended for use as an internal standard for the quantification of Melatonin by GC- or LC-MS. It is not intended for therapeutic use and is for research and analytical use only.
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| Molecular Formula |
C13H12D4N2O2
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|---|---|
| Molecular Weight |
236.30300
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| Exact Mass |
236.146
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| CAS # |
66521-38-8
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| Related CAS # |
Melatonin;73-31-4;Melatonin-d3;90735-69-6
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| PubChem CID |
12358981
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| Appearance |
White to off-white solid powder
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| Density |
1.196g/cm3
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| Boiling Point |
512.831ºC at 760 mmHg
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| Melting Point |
117-118ºC
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| Flash Point |
263.951ºC
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| Index of Refraction |
1.6
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| LogP |
2.246
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
17
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| Complexity |
270
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])(C1=CNC2=C1C=C(C=C2)OC)C([2H])([2H])NC(=O)C
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| InChi Key |
DRLFMBDRBRZALE-NZLXMSDQSA-N
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| InChi Code |
InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i5D2,6D2
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| Chemical Name |
N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
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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) |
DMSO : ~100 mg/mL (~423.19 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.58 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (10.58 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (10.58 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2319 mL | 21.1595 mL | 42.3191 mL | |
| 5 mM | 0.8464 mL | 4.2319 mL | 8.4638 mL | |
| 10 mM | 0.4232 mL | 2.1160 mL | 4.2319 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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