| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 1g | |||
| Other Sizes |
| Targets |
delta-Valerobetaine targets metabolic pathways involved in fatty acid oxidation and mitochondrial energy metabolism. As a precursor of trimethylamine N-oxide (TMAO), it is involved in the gut microbiota-dependent metabolism that produces TMAO, a metabolite associated with cardiovascular disease and other metabolic disorders. The compound modulates host metabolic homeostasis by influencing fatty acid oxidation and mitochondrial function. It is a gut microbiota-derived metabolite that serves as a link between diet, microbiome, and host metabolism.
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| ln Vitro |
Meat from ruminants had much higher amounts of delta-valerobetaine than meat from non-ruminants, with cattle having higher levels of the compound than sheep and goats. Compared to their meat, ruminant milk has substantially less delta-valerobetaine. Nonetheless, ruminant milk has a significantly greater delta-valerobetaine content than non-ruminant milk. Research indicates that ruminal fluid treated with labeled Nε-trimethyllysine rapidly forms labeled delta-valerobetaine[1].
In vitro studies have demonstrated that delta-Valerobetaine (10, 50 microM) elicits a dose-dependent decrease in palmitate-dependent mitochondrial oxygen respiration and decreased fatty acid oxidation in human HepG2 cells. This indicates that delta-Valerobetaine modulates mitochondrial energy metabolism and fatty acid oxidation in a dose-dependent manner. The compound is also used as a standard for profiling food-derived betaines and tracing microbiota-dependent metabolism in various in vitro systems. |
| ln Vivo |
In vivo studies on delta-Valerobetaine have focused on its role as a TMAO precursor and its association with metabolic disorders. Ruminant meat and milk contain delta-Valerobetaine, which serves as a precursor of TMAO. The compound is a diet-dependent obesogen that increases with phenotypic obesity and is associated with visceral adipose tissue mass in humans. In rumen metabolism, delta-Valerobetaine is produced through bacterial metabolism and can be degraded. These findings highlight the compound's role in linking diet, microbiome, and metabolic health.
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| Enzyme Assay |
The in vitro enzyme assays for delta-Valerobetaine typically involve studying its metabolism to TMAO by gut microbiota or specific enzymes. In these assays, the compound is incubated with gut microbiota or enzyme preparations, and the formation of TMAO is quantified using LC-MS/MS or other analytical methods. The compound is used as a standard for profiling betaines and tracing microbiota-dependent metabolism. These assays are important for understanding the metabolic pathways involved in TMAO production and the role of delta-Valerobetaine in host metabolism.
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| Cell Assay |
Cellular assays for delta-Valerobetaine are conducted using human HepG2 cells or other cell lines. Cells are treated with varying concentrations of delta-Valerobetaine (e.g., 10, 50 microM), and mitochondrial oxygen respiration and fatty acid oxidation are measured. The compound's effects on mitochondrial function are assessed using respirometry or Seahorse metabolic analyzers. These cell-based assays confirm the compound's activity in modulating energy metabolism and provide insights into its mechanism of action at the cellular level.
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| Animal Protocol |
In vivo animal studies for delta-Valerobetaine are conducted in mouse models to study its role as a TMAO precursor and its effects on metabolic health. The compound is administered orally or through diet, and its effects on TMAO levels, fatty acid oxidation, and metabolic parameters are assessed. Ruminant models are also used to study the production and metabolism of delta-Valerobetaine in the rumen. These studies help to elucidate the compound's role in linking diet, microbiome, and host metabolism, and its association with metabolic disorders such as obesity and cardiovascular disease.
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| ADME/Pharmacokinetics |
delta-Valerobetaine has a molecular weight of 159.23 and a molecular formula of C8H17NO2. The compound appears as a white to off-white solid powder. For research use, delta-Valerobetaine is typically stored as powder at -20degC for up to 3 years or at 4degC for up to 2 years, and in solvent at -80degC for up to 2 years or at -20degC for up to 1 year. The compound is soluble in water and other appropriate solvents for biochemical assays. Detailed pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution have been characterized in the context of TMAO metabolism studies.
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| Toxicity/Toxicokinetics |
Toxicological data for delta-Valerobetaine are derived from studies on TMAO and its precursors. Elevated TMAO levels are associated with increased risk of cardiovascular disease and other metabolic disorders. However, delta-Valerobetaine itself has not been systematically evaluated for toxicity. As a naturally occurring metabolite, it is considered to have a reasonable safety profile at physiological concentrations. Standard safety precautions should be followed when handling the compound for research purposes.
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| References | |
| Additional Infomation |
5-Aminovalerate betaine is a straight-chain fatty acid.
delta-Valerobetaine (CAS#: 6778-33-2) is a gut microbiota-derived betaine analog and precursor of trimethylamine N-oxide (TMAO). It has a molecular formula of C8H17NO2 and a molecular weight of 159.23. The compound modulates fatty acid oxidation and mitochondrial energy metabolism, thereby influencing host metabolic homeostasis. It is used as a standard for profiling food-derived betaines, tracing microbiota-dependent metabolism, and investigating TMAO-associated disease mechanisms. delta-Valerobetaine is not approved for clinical use and is available only for research purposes. |
| Molecular Formula |
C8H17NO2
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|---|---|
| Molecular Weight |
159.2260825634
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| Exact Mass |
159.125
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| CAS # |
6778-33-2
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| PubChem CID |
14274897
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| Appearance |
White to off-white solid powder
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| LogP |
1.1
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
11
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| Complexity |
121
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[O-]C(CCCC[N+](C)(C)C)=O
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| InChi Key |
CDLVFVFTRQPQFU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H17NO2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3
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| Chemical Name |
5-(trimethylazaniumyl)pentanoate
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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) |
H2O : ~125 mg/mL (~785.03 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (628.02 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.2802 mL | 31.4011 mL | 62.8022 mL | |
| 5 mM | 1.2560 mL | 6.2802 mL | 12.5604 mL | |
| 10 mM | 0.6280 mL | 3.1401 mL | 6.2802 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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