| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
||
| 1g |
|
||
| Other Sizes |
|
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
It is readily absorbed from the gastrointestinal tract in man. Metabolism / Metabolites In contrast to valeric acid, isovaleric acid is ketogenic. ...Is metabolized by the liver to give two- and three-carbon fragments. The isopropyl fragment of isovaleric acid is readily converted to acetoacetate and is an efficient source of carbon atoms for fatty acid and cholesterol synthesis. Isovaleric acid ... has been identified in the fermentative organs of ruminant animals. Isovaleric acid is an intermediate in leucine metabolism. High blood concentrations of isovaleric acid occur in patients with the clinical disorder "isovaleric acidemia." This is a genetic defect of leucine metabolism in which the enzyme isovaleryl-coenzyme A dehydrogenase is inhibited or absent. The disease is characterized by episodic acidosis, slight mental retardation, and an unpleasant body odor. RATS RECEIVING LABELED ISOVALERIC ACID EXCRETED NONRADIOACTIVE ISOVALTHINE. Isovalerate given iv to normal rats was rapidly metabolized, with a 50% decr in plasma concn after 11 min, and this time was shortened to 5 min by the simultaneous admin of glycine. The hypoglycin metabolite methylenecyclopropylacetate-CoA inhibited butyryl-CoA dehydrogenase and isovaleryl-CoA dehydrogenase in liver. Gas chromatographic and mass spectrometric parameters of isovaleryl-beta-D-glucuronide, a new metabolite in the urine of patients with isovaleric acidemia, were presented. The significance of this metabolite for the detoxication of isovalerate in isovaleric acid media is discussed. |
|---|---|
| Toxicity/Toxicokinetics |
Non-Human Toxicity Values
LD50 Rabbit skin 310 mg/kg LD50 Rabbit skin 3560 mg/kg LD50 Rat oral <3200 mg/kg LD50 Rat oral 2000 mg/kg For more Non-Human Toxicity Values (Complete) data for ISOVALERIC ACID (6 total), please visit the HSDB record page. |
| References | |
| Additional Infomation |
Isopentanoic acid is a colorless liquid with a penetrating odor. It is slightly soluble in water. It is corrosive to metals and to tissue.
Isovaleric acid is a C5, branched-chain saturated fatty acid. It has a role as a plant metabolite and a mammalian metabolite. It is a short-chain fatty acid, a methylbutyric acid and a branched-chain saturated fatty acid. It is a conjugate acid of an isovalerate. Isovaleric acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Isovaleric acid has been reported in Francisella tularensis, Artemisia macrocephala, and other organisms with data available. 3-Methylbutanoic acid is a metabolite found in or produced by Saccharomyces cerevisiae. Mechanism of Action (14)C-LABELED ISOVALERIC ACID ADMIN ORALLY TO RATS SHOWED ISOPROPYL GROUP WAS MORE EFFICIENTLY UTILIZED FOR CHOLESTEROL SYNTH THAN CARBOXYL GROUPS, & ALSO MORE EFFICIENTLY UTILIZED THAN FATTY ACID SYNTH. CLEAVAGE OF ACID INTO 2 FRAGMENTS OCCURS BEFORE CHOLESTEROL SYNTH. (14)C-LABELED ISOVALERIC ACID ADMIN ORALLY TO RATS APPEARS TO ENHANCE THE INCORPORATION OF CARBON DIOXIDE INTO CHOLESTEROL. All liver mitochondrial preparations were affected by 1.19 mM isovalerate. Isovaleryl CoA is a potent inhibitor of succinate:CoA ligase (SCL) with positive cooperativity and half-maximal inhibition at 273 +/-11 uM isovaleryl CoA. The investigators suggested that inhibition of the citric acid cycle at the SCL step may be a general mechanism of organic acid toxicity to mitochondria. |
| Molecular Formula |
C5H10O2
|
|---|---|
| Molecular Weight |
102.1317
|
| Exact Mass |
102.068
|
| CAS # |
503-74-2
|
| PubChem CID |
10430
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
175.3±8.0 °C at 760 mmHg
|
| Melting Point |
-35 °C
|
| Flash Point |
70.6±0.0 °C
|
| Vapour Pressure |
0.6±0.7 mmHg at 25°C
|
| Index of Refraction |
1.418
|
| LogP |
1.13
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
7
|
| Complexity |
66.5
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O
|
| InChi Key |
GWYFCOCPABKNJV-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
|
| Chemical Name |
3-methylbutanoic acid
|
| 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) |
DMSO : ~100 mg/mL (~979.14 mM)
H2O : ~100 mg/mL (~979.14 mM) |
|---|---|
| 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
