| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| 500mg |
|
||
| Other Sizes |
| Targets |
2-Hydroxyoctanoic acid targets medium-chain acyl-CoA synthetase, an enzyme involved in fatty acid metabolism. By inhibiting this enzyme with a Kᵢ of 500 μM, 2-HOC interferes with the activation of medium-chain fatty acids to their corresponding acyl-CoA esters, a crucial step in fatty acid oxidation and lipid metabolism. The compound is classified as a metabolic enzyme inhibitor and serves as a tool for studying fatty acid metabolism pathways, including β-oxidation and lipid biosynthesis. Its mechanism involves competitive or non-competitive inhibition of the acyl-CoA synthetase enzyme.
|
|---|---|
| ln Vitro |
In vitro, 2-Hydroxyoctanoic acid acts as a medium-chain acyl-CoA synthetase inhibitor with a Kᵢ of 500 μM. Enzyme activity assays typically measure the conversion of medium-chain fatty acids to acyl-CoA derivatives in the presence of varying concentrations of 2-HOC to determine inhibition kinetics. The compound's inhibitory activity is relevant to studies of fatty acid metabolism in various cell types. As a hydroxy fatty acid, 2-HOC may also have effects on cellular lipid homeostasis and energy metabolism. Further in vitro studies would be needed to characterize additional biological activities.
|
| ln Vivo |
In vivo data for 2-Hydroxyoctanoic acid are limited. The compound has been reported to exist in fruit flies, suggesting it is a naturally occurring metabolite. As a fatty acid derivative, it may be absorbed, distributed, metabolized, and excreted through pathways similar to other medium-chain fatty acids. Its role as an acyl-CoA synthetase inhibitor suggests potential effects on lipid metabolism in vivo, but specific animal studies have not been extensively reported. The compound is primarily used as a research tool for studying metabolic enzyme function rather than as a therapeutic agent.
|
| Enzyme Assay |
In vitro enzyme assays for 2-Hydroxyoctanoic acid involve measuring the inhibition of medium-chain acyl-CoA synthetase activity. The standard protocol includes incubating the enzyme with varying concentrations of 2-HOC (typically 0-1000 µM) and a substrate such as octanoic acid in the presence of ATP, CoA, and magnesium ions. The reaction is terminated after a defined period, and the production of octanoyl-CoA is measured by spectrophotometric or radiometric methods. Kᵢ values are calculated from the inhibition curves. The assay may use purified enzyme preparations or crude cell lysates as the enzyme source.
|
| Cell Assay |
Cell-based assays for 2-Hydroxyoctanoic acid are conducted to evaluate its effects on fatty acid metabolism in cultured cells. Typical protocols involve treating cells (e.g., hepatocytes, adipocytes, or cancer cell lines) with varying concentrations of 2-HOC (e.g., 0-1000 µM) for 24-72 hours. Cellular lipid content is measured by Oil Red O staining or lipid extraction followed by gas chromatography. Fatty acid oxidation rates are assessed by measuring the conversion of radiolabeled fatty acids to CO₂ or acid-soluble metabolites. Gene expression of metabolic enzymes is analyzed by qPCR or western blot. Cytotoxicity is evaluated using standard viability assays.
|
| Animal Protocol |
In vivo animal experiments for 2-Hydroxyoctanoic acid are not extensively described in the available literature. For fatty acid metabolism studies, typical protocols involve administration of the compound to rodents via oral gavage, intraperitoneal injection, or intravenous injection. Animals are monitored for changes in body weight, food intake, and metabolic parameters. Blood samples are collected for analysis of lipid profiles, glucose levels, and insulin sensitivity. Tissues (liver, adipose, muscle) are harvested for histological analysis and assessment of fatty acid oxidation enzyme activities.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for 2-Hydroxyoctanoic acid are not extensively reported. As a medium-chain fatty acid derivative with a molecular weight of 160.21 g/mol and LogP of 1.96, the compound is expected to have moderate oral bioavailability and rapid absorption. It is soluble in DMSO (~100 mg/mL) and can be formulated in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline for in vivo administration. Storage conditions: powder at -20°C for 3 years or 4°C for 2 years. The compound has a boiling point of 289°C and melting point of 66-68°C.
|
| Toxicity/Toxicokinetics |
2-Hydroxyoctanoic acid is supplied for research use only and is not intended for human use. Toxicity data are limited, but as a naturally occurring fatty acid metabolite, it is expected to have relatively low toxicity. The compound has a density of 1.0±0.1 g/cm³ and a flash point of 142.8°C. Standard laboratory safety precautions should be followed when handling. No specific toxicological studies have been published for this compound. It is not a drug and has no clinical approval status.
|
| References | |
| Additional Infomation |
2-Hydroxyoctanoic acid (2-HOC) is a hydroxy fatty acid formed by replacing the 2-position of octanoic acid (octanedioic acid) with a hydroxyl group. Functionally, it is related to octanoic acid. It is the conjugate acid of 2-hydroxyoctanoic acid ester. 2-HOC has been reported to exist in fruit flies, and relevant data are available for reference.
2-Hydroxyoctanoic acid (CAS 617-73-2) is a research compound supplied for laboratory use only. It is not an approved therapeutic agent and has no clinical trial or marketing authorization status. The compound is a medium-chain acyl-CoA synthetase inhibitor with a Kᵢ of 500 μM. It is the conjugate acid of 2-hydroxyoctanoic acid ester and has been reported to exist in fruit flies. Purity is typically ≥98%. The compound appears as a white to off-white solid powder and should be stored at -20°C or 4°C. |
| Molecular Formula |
C8H16O3
|
|---|---|
| Molecular Weight |
160.2108
|
| Exact Mass |
160.109
|
| CAS # |
617-73-2
|
| PubChem CID |
94180
|
| Appearance |
White to off-white solid powder
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
289.0±13.0 °C at 760 mmHg
|
| Melting Point |
66-68 °C
|
| Flash Point |
142.8±16.3 °C
|
| Vapour Pressure |
0.0±1.3 mmHg at 25°C
|
| Index of Refraction |
1.463
|
| LogP |
1.96
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
11
|
| Complexity |
112
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
JKRDADVRIYVCCY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
|
| Chemical Name |
2-hydroxyoctanoic 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 (~624.18 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.60 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 (15.60 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 (15.60 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 | 6.2418 mL | 31.2090 mL | 62.4181 mL | |
| 5 mM | 1.2484 mL | 6.2418 mL | 12.4836 mL | |
| 10 mM | 0.6242 mL | 3.1209 mL | 6.2418 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
