| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 500mg |
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| Other Sizes |
| Animal Protocol |
- Rat TAME oral administration experiment: Adult male and female Sprague-Dawley rats were divided into 3 dose groups (5 rats per group) with TAME doses of 100 mg/kg, 300 mg/kg, and 1000 mg/kg. TAME was dissolved in corn oil and administered via oral gavage once. Urine samples were collected at 0–24 h, 24–48 h, and 48–72 h post-administration. The collected urine was analyzed using chromatographic methods to quantify the concentration of 2-Hydroxy-2-methylbutanoic acid [1]
- Rat TAME inhalation experiment: Adult rats were placed in a whole-body inhalation chamber and exposed to TAME vapor at concentrations of 10 ppm, 50 ppm, and 200 ppm for 6 hours per day for 5 consecutive days. Urine was collected daily during the exposure period and for 3 days post-exposure. The urine samples were processed and analyzed to determine the excretion profile of 2-Hydroxy-2-methylbutanoic acid [1] |
|---|---|
| ADME/Pharmacokinetics |
As a major metabolite of TAME (tert-amyl methyl ether, an oxygenated gasoline compound), 2-hydroxy-2-methylbutyric acid is primarily excreted in urine, both in rats and humans. - In rats: After oral administration of TAME, 2-hydroxy-2-methylbutyric acid accounts for 35-45% of the total urinary metabolites of TAME. It is primarily excreted in free form, with less than 10% bound to glucuronic acid. Peak excretion of the metabolite occurs within 24-48 hours after TAME administration [1]. - In humans: After inhalation of TAME (50 ppm for 4 hours), 2-hydroxy-2-methylbutyric acid is detected in urine within 8 hours, with a maximum concentration of 12-18 μg/g creatinine. The metabolite is completely cleared from urine within 72 hours after the end of exposure [1].
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| References | |
| Additional Infomation |
2-Hydroxy-2-methylbutyric acid is a branched-chain fatty acid formed by the substitution of 2-methylbutyric acid with a hydroxyl group at the C-2 position. It is a metabolite. It is a 2-hydroxy fatty acid and a branched-chain fatty acid that is functionally related to 2-methylbutyric acid.
- 2-hydroxy-2-methylbutyric acid is a key oxidative metabolite of TAME, which is generated by the metabolism of TAME by cytochrome P450 enzymes in the liver of rats and humans[1]. - TAME is widely used as an oxygenated additive in gasoline to improve fuel efficiency and reduce exhaust emissions, and the detection of 2-hydroxy-2-methylbutyric acid in urine is often used as a biomarker for TAME exposure[1]. |
| Molecular Formula |
C5H10O3
|
|---|---|
| Molecular Weight |
118.1311
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| Exact Mass |
118.062
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| CAS # |
3739-30-8
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| PubChem CID |
95433
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
237.6±13.0 °C at 760 mmHg
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| Melting Point |
73-75 °C(lit.)
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| Flash Point |
111.8±16.3 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.460
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| LogP |
0.18
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| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
8
|
| Complexity |
99.8
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
MBIQENSCDNJOIY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
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| Chemical Name |
2-hydroxy-2-methylbutanoic acid
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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) |
DMSO : ~100 mg/mL (~846.53 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (21.16 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 (21.16 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 (21.16 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 | 8.4653 mL | 42.3263 mL | 84.6525 mL | |
| 5 mM | 1.6931 mL | 8.4653 mL | 16.9305 mL | |
| 10 mM | 0.8465 mL | 4.2326 mL | 8.4653 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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