| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
Isovaleric acid does not have a specific pharmacological target. It is an endogenous metabolite, a volatile organic compound, and a flavoring agent. It is not used as a drug. Its biological effects are related to its role as a metabolite and its interaction with olfactory receptors as a fragrance compound.
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| ln Vitro |
Isovaleric acid does not have significant pharmacological activity in vitro. It is used as a standard or a reagent in analytical chemistry and as a flavoring agent in food and cosmetic products. Its antimicrobial activity is minimal and not considered therapeutically relevant.
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| ln Vivo |
Isovaleric acid is not used for in vivo therapeutic applications. It is a naturally occurring compound and a metabolite. In high concentrations, it can be toxic and is associated with conditions like isovaleric acidemia, a metabolic disorder. It is not administered as a drug.
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| Enzyme Assay |
Isovaleric acid does not have an enzyme or receptor binding assay in a pharmacological context. It is a simple organic acid. Its characterization involves chemical analysis, such as gas chromatography (GC) and mass spectrometry (MS).
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| Cell Assay |
Isovaleric acid is not used in cellular assays as a drug. It may be used in cell culture media as a supplement or as a standard for metabolomics studies. Its effects on cells are not studied for drug discovery purposes.
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| Animal Protocol |
Isovaleric acid is not used in animal experiments as a drug. It may be used in metabolic studies or as a component of animal diets. Its toxicity has been studied in the context of metabolic disorders such as isovaleric acidemia.
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| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
Isovalerate is readily absorbed by the human gastrointestinal tract. Metabolism/Metabolites Unlike valerate, Isopentanoic acid has a ketogenic effect. …It is metabolized in the liver to produce two- and three-carbon fragments. The isopropyl fragment of Isopentanoic acid is readily converted to acetoacetic acid, a valuable source of carbon atoms for fatty acid and cholesterol synthesis. Isovalerate…has been found in the fermentation organs of ruminants. Isovalerate is an intermediate product of leucine metabolism. Patients with Isopentanoic acidemia have high concentrations of Isopentanoic acid in their blood. This is a genetic defect in leucine metabolism in which isovaleryl-CoA dehydrogenase is inhibited or absent. The disease is characterized by intermittent acidosis, mild intellectual disability, and an unpleasant body odor. Rats receiving labeled Isopentanoic acid excrete non-radioactive isovalerine. Intravenous injection of Isopentanoic acid in normal rats results in rapid metabolism, with plasma concentration decreasing by 50% after 11 minutes; simultaneous administration of glycine shortens the metabolic time to 5 minutes. The hypoglycine metabolite methylenecyclopropylacetic acid-CoA inhibits butyryl-CoA dehydrogenase and isovaleryl-CoA dehydrogenase in the liver. This article introduces the gas chromatography and mass spectrometry parameters of a novel metabolite in the urine of patients with Isopentanoic acidemia—isovaleryl-β-D-glucuronide—and discusses the significance of this metabolite in the detoxification of Isopentanoic acid in Isopentanoic acid media. Isovaleric acid is a naturally occurring compound with well-characterized chemical properties. It is absorbed and metabolized as part of normal fatty acid metabolism. In cases of isovaleric acidemia, its accumulation can be toxic. It is excreted in urine. |
| Toxicity/Toxicokinetics |
Non-Human Toxicity Values
Rabbit skin LD50: 310 mg/kg Rabbit skin LD50: 3560 mg/kg Rat oral LD50: <3200 mg/kg Rat oral LD50: 2000 mg/kg For more complete non-human toxicity data on Isopentanoic acid (6 items in total), please visit the HSDB record page. Isovaleric acid is considered to be of low toxicity at normal exposure levels. However, in high concentrations, it is irritating to the skin, eyes, and respiratory tract. Ingestion of large amounts can cause systemic toxicity, as seen in isovaleric acidemia. It is a flammable liquid and should be handled with care. |
| References | |
| Additional Infomation |
Isopentanoic acid is a colorless liquid with a pungent odor. It is slightly soluble in water and corrosive to metals and tissues. Isopentanoic acid is a C5 branched-chain saturated fatty acid. It is a metabolite of both plants and mammals. It is a short-chain fatty acid, methylbutyric acid, and branched-chain saturated fatty acid. It is the conjugate acid of Isopentanoic acid. Isopentanoic acid is found in or produced by Escherichia coli (K12 strain, MG1655 strain). Isopentanoic acid has been reported in Tulafrancsis, Artemisia capillaris, and other organisms with relevant data. 3-Methylbutyric acid is found in or produced by Saccharomyces cerevisiae. Mechanism of Action: Oral administration of 14C-labeled Isopentanoic acid to rats revealed that the isopropyl group was used more efficiently for cholesterol synthesis than the carboxyl group, and also more efficiently than fatty acid synthesis. The acid cleavage into two fragments occurs before cholesterol synthesis. (14) Oral administration of C-labeled Isopentanoic acid to rats appeared to enhance carbon dioxide incorporation into cholesterol. All liver mitochondrial preparations were affected by 1.19 mM Isopentanoic acid. Isovaleryl-CoA is a potent inhibitor of succinate:coenzyme A ligase (SCL) with positive cooperativity, and a half-maximal inhibitory concentration (MCC) of 273 ± 11 μM. Researchers suggest that inhibition of the SCL step in the citric acid cycle may be a common mechanism for the toxicity of organic acids to mitochondria.
Isovaleric acid is a naturally occurring aroma compound used as a flavoring agent in food and as a fragrance in cosmetics and perfumes. It is also a metabolite in the human body. It is not an FDA-approved drug and has no clinical applications. Its primary value is as a flavor and fragrance ingredient. |
| Molecular Formula |
C5H10O2
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|---|---|
| Molecular Weight |
102.1317
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| Exact Mass |
102.068
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| CAS # |
503-74-2
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| PubChem CID |
10430
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
175.3±8.0 °C at 760 mmHg
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| Melting Point |
-35 °C
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| Flash Point |
70.6±0.0 °C
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| Vapour Pressure |
0.6±0.7 mmHg at 25°C
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| Index of Refraction |
1.418
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| LogP |
1.13
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
7
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| Complexity |
66.5
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O
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| InChi Key |
GWYFCOCPABKNJV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
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| Chemical Name |
3-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 (~979.14 mM)
H2O : ~100 mg/mL (~979.14 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (24.48 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 (24.48 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 (24.48 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: 100 mg/mL (979.14 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 | 9.7914 mL | 48.9572 mL | 97.9144 mL | |
| 5 mM | 1.9583 mL | 9.7914 mL | 19.5829 mL | |
| 10 mM | 0.9791 mL | 4.8957 mL | 9.7914 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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