| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
No direct pharmacological target for its use as an analytical standard. The non-deuterated parent compound, N-Acetyl-5-hydroxytryptamine, is a precursor to melatonin and can also potently activate the TrkB (tropomyosin receptor kinase B) receptor. The deuterated version is used as a tracer.
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|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
As an analytical internal standard, no direct in vitro or in vivo activity is relevant. The non-deuterated parent compound (N-acetylserotonin) has shown high affinity for the TrkB receptor, with an EC50 of about 0.2 microM, and can promote neurogenesis and neuronal survival in vitro. The deuterated analog is presumed to have similar chemistry. |
| ln Vivo |
No in vivo activity is relevant for this compound as an analytical standard. It is designed for use in bioanalytical methods and is not intended for efficacy studies. Its in vivo behavior, such as distribution and metabolism, is expected to be identical to the non-labeled compound, which is involved in the melatonin synthesis pathway.
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| Enzyme Assay |
Cell-free binding assays are not applicable for the deuterated standard. For bioanalytical method validation, the compound is spiked into a biological matrix (e.g., plasma, urine, or tissue homogenate) to correct for matrix effects and extraction efficiency during sample preparation. This is the "non-cell" part of analytical chemistry.
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| Cell Assay |
Cell-based assays are not performed with the deuterated standard. The primary use is as a quality control standard. For method development, a known concentration of the labeled standard is added to the biological sample to act as a control to compensate for the loss of analyte during sample preparation and for variations in LC-MS/MS ionization.
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| Animal Protocol |
For in vivo pharmacokinetic studies, the non-labeled parent drug, N-acetyl-5-hydroxytryptamine, is administered to animals. Blood or tissue samples are collected and spiked with the deuterated internal standard before analysis by LC-MS/MS. This allows for accurate quantification of the parent drug concentration to determine its PK profile.
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| ADME/Pharmacokinetics |
As an analytical standard, no pharmacokinetic data are generated. The physical properties are known: a molecular weight of 221.27 (C12H11D3N2O2) and a CAS number of 2001098-07-1. It is a solid with a purity of ≥98.0% and is stored at -20degC, protected from light.
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| Toxicity/Toxicokinetics |
No toxicity data are reported for this compound. As a stable isotope-labeled internal standard, it is not intended for in vivo pharmacological use. The standard handling precautions for fine chemicals apply. It is not a drug and has no therapeutic application.
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| References | |
| Additional Infomation |
Other information: This compound is a stable isotope-labeled internal standard for the quantification of N-Acetyl-5-hydroxytryptamine (normelatonin) in GC/MS or LC-MS applications. Its synonyms include N-Acetylserotonin-d3 and O-Demethylmelatonin-d3. It is a chemical of very high purity (≥98%) used exclusively for research.
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| Molecular Formula |
C12H11D3N2O2
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|---|---|
| Molecular Weight |
221.27
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| Exact Mass |
221.124
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| CAS # |
2001098-07-1
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| Related CAS # |
N-Acetyl-5-hydroxytryptamine;1210-83-9
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| PubChem CID |
131708629
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| Appearance |
White to off-white solid powder
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| Melting Point |
112-117°C
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| LogP |
0.5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
16
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| Complexity |
257
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C(=O)NCCC1=CNC2=C1C=C(C=C2)O
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| InChi Key |
MVAWJSIDNICKHF-FIBGUPNXSA-N
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| InChi Code |
InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)/i1D3
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| Chemical Name |
2,2,2-trideuterio-N-[2-(5-hydroxy-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) |
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 | 4.5194 mL | 22.5968 mL | 45.1937 mL | |
| 5 mM | 0.9039 mL | 4.5194 mL | 9.0387 mL | |
| 10 mM | 0.4519 mL | 2.2597 mL | 4.5194 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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