| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Trimethylamine N-oxide-d9 does not have a specific pharmacological target. As a stable isotope-labeled compound, it is used as an internal standard for analytical quantification of TMAO, a gut microbe-dependent metabolite of dietary choline.
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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].
Trimethylamine N-oxide-d9 is chemically identical to TMAO in its biochemical properties but contains nine deuterium atoms, making it distinguishable by mass spectrometry. It is used as an internal standard for accurate quantification of TMAO in biological samples. |
| ln Vivo |
In vivo, trimethylamine N-oxide is a gut microbe-dependent metabolite of dietary choline and other trimethylamine-containing nutrients. TMAO induces inflammation by activating the ROS/NLRP3 inflammasome and has been associated with cardiovascular disease risk. The deuterated form is not used therapeutically but as an analytical standard.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable for trimethylamine N-oxide-d9 as it is not a drug targeting specific enzymes or receptors. It is used as a chemical standard for analytical method development and validation in mass spectrometry-based quantification of TMAO.
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| Cell Assay |
For in vitro cellular experiments, trimethylamine N-oxide-d9 is used as a spiked internal standard in sample preparation for LC-MS or GC-MS analysis. It is added to biological samples (plasma, urine, cell culture media) at known concentrations to correct for matrix effects and variations in extraction efficiency and instrument response during TMAO quantification.
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| Animal Protocol |
In vivo animal experiments with trimethylamine N-oxide-d9 are not typically performed as a therapeutic intervention. The compound is used in pharmacokinetic studies as a tracer or internal standard for quantifying TMAO levels in plasma, urine, and tissues from animal models. It can be administered to animals to study TMAO metabolism and disposition.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of trimethylamine N-oxide-d9 are similar to those of unlabeled TMAO. The compound has a molecular weight of 84.17 g/mol and a molecular formula of C₃D₉NO. In vivo, TMAO is cleared through renal excretion.
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| Toxicity/Toxicokinetics |
Toxicological data for trimethylamine N-oxide-d9 is limited. As a stable isotope-labeled compound, it is used in research applications and not intended for human therapeutic use. Standard safety precautions should be observed during handling.
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| References |
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| Additional Infomation |
Trimethylamine N-oxide-d9 is the deuterium-labeled form of trimethylamine N-oxide, intended for use as an internal standard for the quantification of TMAO by GC- or LC-MS. TMAO is a gut microbe-dependent metabolite of dietary choline and other trimethylamine-containing nutrients. The compound is a research reagent and has no clinical or therapeutic applications.
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| Molecular Formula |
C3D9NO
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|---|---|
| Molecular Weight |
84.17
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| Exact Mass |
84.124
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| CAS # |
1161070-49-0
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| Related CAS # |
Trimethylamine N-oxide dihydrate;62637-93-8;Trimethylamine N-oxide;1184-78-7
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| PubChem CID |
71752814
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| Appearance |
White to off-white solid powder
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| LogP |
0.211
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
5
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| Complexity |
28.4
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])[O-]
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| InChi Key |
UYPYRKYUKCHHIB-GQALSZNTSA-N
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| InChi Code |
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3/i1D3,2D3,3D3
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| Chemical Name |
1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methanamine oxide
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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 | 11.8807 mL | 59.4036 mL | 118.8072 mL | |
| 5 mM | 2.3761 mL | 11.8807 mL | 23.7614 mL | |
| 10 mM | 1.1881 mL | 5.9404 mL | 11.8807 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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