| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Human Endogenous Metabolite NLRP3 Microbial Metabolite
Trimethylamine N-oxide dihydrate does not have a specific pharmacological target. It functions as a chemical osmolyte that stabilizes protein structure by counteracting denaturing forces. |
|---|---|
| ln Vitro |
When fibroblasts were treated with trimethylamine N-oxide (TMAO) dihydrate in vitro, their size and migration increased in comparison to untreated fibroblasts. Trimethylamine N-oxide dihydrate promotes the phosphorylation of Smad2 and upregulates the expression of collagen I and α-SMA by increasing the expression of TGF-β receptor I. After treating newborn mouse fibroblasts with trimethylamine N-oxide dihydrate, there is a decrease in TGF-betaRI ubiquitination. Additionally, smurf2 expression is inhibited by trimethylamine N-oxide dihydrate[2]. Many marine animals have tissues that contain trimethylamine N-oxide, which is resistant to the negative effects of hydrostatic pressure, high urea, temperature, and salt [3].
TMAO dihydrate is known to stabilize protein structure and is used as a protein stabilizer in biochemical and structural biology research. It counteracts denaturing forces and helps maintain protein native conformation. |
| ln Vivo |
Cardiovascular illness is brought on by dimethylamine N-oxide (TMAO) dihydrate, which increases inflammatory reactions. Three different diets—high choline, standard, or 3-dimethyl-1-butanol (DMB)—were given to C57BL/6 mice. In mice given choline, levels of trimethylamine N-oxide dihydrate and choline were elevated. When HFpEF mice are fed a high-choline diet, heart failure considerably worsens left ventricular hypertrophy, pulmonary congestion, and diastolic dysfunction in comparison to mice fed a control diet. When compared to animals given a control diet, HFpEF mice on a high-choline diet had noticeably higher levels of cardiac fibrosis and inflammation [1].
In vivo, trimethylamine N-oxide is a gut microbe-dependent metabolite of dietary choline and other trimethylamine-containing nutrients. TMAO has been associated with inflammatory responses and cardiovascular disease risk, but the dihydrate form is primarily used as a research reagent. |
| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable for trimethylamine N-oxide dihydrate as it is not a drug targeting specific enzymes or receptors. It is used as a chemical reagent for protein stabilization in biochemical assays. The compound can be added to protein solutions at concentrations ranging from 0.1-1 M to stabilize protein structure and prevent aggregation.
|
| Cell Assay |
For in vitro cellular experiments, trimethylamine N-oxide dihydrate is dissolved in water or cell culture medium. It is used as a chemical chaperone to stabilize proteins and protect cells from osmotic stress. The compound can be added to cell culture media at various concentrations to study its effects on cellular stress responses and protein folding.
|
| Animal Protocol |
In vivo animal experiments with trimethylamine N-oxide dihydrate are not commonly performed as a therapeutic intervention. However, TMAO is studied as a biomarker in animal models of cardiovascular disease and metabolic disorders. The compound can be administered orally or by injection to study its effects on inflammation and disease progression.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of trimethylamine N-oxide dihydrate include its solubility in water and its role as a metabolite in the body. The compound has a molecular weight of 111.14 g/mol and a molecular formula of C₃H₉NO·2H₂O. In vivo, TMAO is cleared through renal excretion.
|
| Toxicity/Toxicokinetics |
Toxicological data for trimethylamine N-oxide dihydrate indicates that TMAO has been associated with inflammatory responses and cardiovascular disease risk. The compound is intended for research use only and standard safety precautions should be observed.
|
| References |
|
| Additional Infomation |
Trimethylamine N-oxide dihydrate is an organic osmolyte widely studied in biomedical and biochemical research. It stabilizes protein structure by counteracting denaturing forces, making it valuable in protein folding studies and structural biology. It is also used as an oxidizing agent in organic synthesis. No clinical trials or regulatory approvals have been reported.
|
| Molecular Formula |
C3H13NO3
|
|---|---|
| Molecular Weight |
111.14
|
| Exact Mass |
111.089
|
| CAS # |
62637-93-8
|
| Related CAS # |
Trimethylamine N-oxide;1184-78-7;Trimethylamine N-oxide-d9;1161070-49-0;Trimethylamine-N-oxide-13C3
|
| PubChem CID |
198430
|
| Appearance |
White to off-white solid powder
|
| Density |
1.157 g/cm3
|
| Melting Point |
95-99 °C(lit.)
|
| Flash Point |
95 °C
|
| LogP |
0.082
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
7
|
| Complexity |
28.4
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C[N+](C)(C)[O-].O.O
|
| InChi Key |
PGFPZGKEDZGJQZ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C3H9NO.2H2O/c1-4(2,3)5;;/h1-3H3;2*1H2
|
| Chemical Name |
N,N-dimethylmethanamine oxide;dihydrate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
H2O: 100 mg/mL (899.77 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (22.49 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 (22.49 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 (22.49 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 120 mg/mL (1079.72 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.9977 mL | 44.9883 mL | 89.9766 mL | |
| 5 mM | 1.7995 mL | 8.9977 mL | 17.9953 mL | |
| 10 mM | 0.8998 mL | 4.4988 mL | 8.9977 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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