| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
2-Methylbutyrylcarnitine targets the carnitine shuttle system and fatty acid metabolism. As an acylcarnitine, it is involved in the transport of fatty acids into mitochondria for energy production. It is produced through the pyruvate carboxylation pathway. Its levels decrease in ovarian cancer cells undergoing ferroptosis.
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| ln Vitro |
In vitro, 2-Methylbutyrylcarnitine is used to study fatty acid metabolism, mitochondrial function, and ferroptosis. Its levels decrease in OVCAR-8 and adriamycin-resistant OVCAR-8 ovarian cancer cells undergoing ferroptosis induced by erastin. Its activity is measured by assessing acylcarnitine levels and fatty acid oxidation in cultured cells.
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| ln Vivo |
In vivo, 2-Methylbutyrylcarnitine is a fatty acid metabolite found in blood and urine. It is produced through the pyruvate carboxylation pathway. Its levels reflect fatty acid metabolism and may be altered in metabolic disorders, cancer, and other diseases. It is not a therapeutic agent but is studied as a biomarker.
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| Enzyme Assay |
In vitro enzyme assays with 2-Methylbutyrylcarnitine typically involve studying enzymes of fatty acid metabolism such as carnitine palmitoyltransferase (CPT) or acylcarnitine hydrolases. The compound is used as a substrate or product in assays to characterize the activity of these enzymes. Standard assays involve incubating with enzyme preparations and analyzing products by LC-MS.
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| Cell Assay |
In vitro cell culture experiments with 2-Methylbutyrylcarnitine involve treating cells to study fatty acid metabolism, mitochondrial function, and ferroptosis. Cells are treated with the compound, and endpoints include assessment of acylcarnitine levels, fatty acid oxidation, cell viability, and markers of ferroptosis.
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| Animal Protocol |
In vivo animal experiments with 2-Methylbutyrylcarnitine typically involve measuring its levels in blood and urine as a biomarker of fatty acid metabolism or disease. Animal models of metabolic disorders, cancer, or mitochondrial diseases are used to study changes in 2-methylbutyrylcarnitine levels and their correlation with disease states.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of 2-Methylbutyrylcarnitine reflect its role as a metabolic intermediate. It is produced in tissues and released into the blood, where it is transported and excreted in urine. Its levels reflect fatty acid metabolism and may be influenced by diet, exercise, and disease. It is soluble in water (110 mg/mL) and DMSO (90 mg/mL).
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| Toxicity/Toxicokinetics |
2-Methylbutyrylcarnitine has a low toxicity profile as a naturally occurring metabolite. For research use, standard laboratory safety practices are sufficient. It is not considered a hazardous substance. Comprehensive toxicology studies have not been published for this compound.
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| References | |
| Additional Infomation |
2-Methylbutyrylcarnitine is a C5 acylcarnitine with a 2-methylbutyryl acyl group. It is a human metabolite and is functionally related to 2-methylbutyric acid.
2-Methylbutyrylcarnitine is a naturally occurring acylcarnitine produced via L-isoleucine metabolism. It is a fatty acid metabolite found in blood and urine and is involved in fatty acid transport into mitochondria. Its levels decrease in ovarian cancer cells undergoing ferroptosis. The compound is not a drug and has no therapeutic indications. |
| Molecular Formula |
C12H23NO4
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|---|---|
| Molecular Weight |
245.32
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| Exact Mass |
245.162
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| CAS # |
256928-75-3
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| PubChem CID |
6426901
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| Appearance |
White to off-white solid powder
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| LogP |
-2.74
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
17
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| Complexity |
265
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C
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| InChi Key |
IHCPDBBYTYJYIL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H23NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
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| Chemical Name |
3-(2-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate
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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 (509.54 mM)
DMSO: 100 mg/mL (407.63 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.19 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 (10.19 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 (10.19 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 | 4.0763 mL | 20.3815 mL | 40.7631 mL | |
| 5 mM | 0.8153 mL | 4.0763 mL | 8.1526 mL | |
| 10 mM | 0.4076 mL | 2.0382 mL | 4.0763 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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