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Human Endogenous Metabolite
2-Hydroxyhexanoic acid is an endogenous metabolite that serves as an animal metabolite. As a hydroxy fatty acid, it is involved in fatty acid metabolism and may interact with enzymes involved in lipid metabolism. The compound is a conjugate acid of a 2-hydroxyhexanoate, suggesting that it may exist in equilibrium with its conjugate base in biological systems. As an endogenous metabolite, it is naturally produced within the body as part of normal metabolic processes. It has been reported in Streptomyces, indicating that it may also be produced by microorganisms. The compound's role as an animal metabolite suggests that it may be involved in various physiological processes, including energy metabolism and lipid homeostasis. However, specific molecular targets have not been extensively characterized. The compound's moderate lipophilicity (LogP 0.62) suggests that it may have reasonable membrane permeability. |
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| ln Vitro |
In vitro, 2-Hydroxyhexanoic acid is used as a research chemical for studying fatty acid metabolism and related processes. As an endogenous metabolite, it may be used in metabolic studies to investigate the role of hydroxy fatty acids in various biological systems. The compound has been reported in Streptomyces, suggesting that it may have applications in microbiology and natural product research. In biochemical assays, 2-Hydroxyhexanoic acid is used as a standard or reference compound. Its role as an animal metabolite makes it useful for studying lipid metabolism and related disorders. However, detailed in vitro activity data are limited. The compound's high purity (98%) ensures accurate and reproducible results in these experiments.
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| ln Vivo |
In vivo, 2-Hydroxyhexanoic acid is an endogenous metabolite that functions as an animal metabolite. It is naturally produced within the body as part of normal metabolic processes. The compound is involved in fatty acid metabolism and may play a role in energy metabolism and lipid homeostasis. However, comprehensive in vivo pharmacokinetic and toxicology studies have not been extensively reported. The compound is classified as a research chemical and is not approved for human use. Further in vivo studies are needed to fully characterize the compound's physiological role and therapeutic potential.
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| Enzyme Assay |
In vitro enzyme assays for 2-Hydroxyhexanoic acid are not well documented. As an endogenous metabolite, it may interact with various metabolic enzymes involved in fatty acid metabolism. For example, it may be a substrate or product of enzymes involved in the oxidation or reduction of fatty acids. In these assays, the enzyme is incubated with 2-Hydroxyhexanoic acid and other substrates, and the formation of products is measured. The compound may also interact with transporters involved in the uptake and efflux of fatty acids. However, specific assay protocols have not been extensively reported. Typical assay conditions would include incubation at 25-37°C in appropriate buffer systems, with reaction products measured by spectrophotometry, fluorometry, or mass spectrometry.
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| Cell Assay |
In vitro cell-based assays for 2-Hydroxyhexanoic acid are limited. As an endogenous metabolite, the compound may be studied in cell culture models of fatty acid metabolism. Cells (e.g., hepatocytes, adipocytes) are cultured in appropriate medium and treated with 2-Hydroxyhexanoic acid at various concentrations. Following treatment, markers of lipid metabolism, such as fatty acid oxidation, lipogenesis, and triglyceride levels, are measured. Cell viability is assessed using standard assays (e.g., MTT, LDH release). Each experiment includes appropriate controls (untreated cells, vehicle controls) and is performed in triplicate to ensure statistical reliability. The compound is typically dissolved in DMSO or ethanol for use in these assays, due to its moderate lipophilicity.
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| Animal Protocol |
In vivo animal experiments with 2-Hydroxyhexanoic acid are limited. The compound is an endogenous metabolite that functions as an animal metabolite. Studies could be conducted to investigate the effects of 2-Hydroxyhexanoic acid on fatty acid metabolism, energy metabolism, and related physiological processes. In these studies, the compound would be administered via oral gavage or intravenous injection, and metabolic parameters would be measured. All animal procedures would be conducted in accordance with institutional animal care and use committee guidelines. However, specific protocols have not been extensively reported.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 2-Hydroxyhexanoic acid are characteristic of a small, moderately lipophilic molecule. With a molecular weight of 132.16 g/mol and a LogP of 0.62, the compound is expected to be well-absorbed following oral administration. Following absorption, the compound is distributed to tissues and metabolized through fatty acid metabolic pathways. The elimination half-life is expected to be relatively short (hours) due to rapid metabolism and clearance. The compound is primarily excreted in urine as metabolites. The pharmacokinetics of 2-Hydroxyhexanoic acid may be influenced by its formulation, with various vehicles affecting absorption rates and bioavailability. As with all research chemicals, appropriate pharmacokinetic studies should be conducted to fully characterize the compound's absorption, distribution, metabolism, and excretion.
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| Toxicity/Toxicokinetics |
The toxicological profile of 2-Hydroxyhexanoic acid has not been extensively characterized in formal toxicology studies. As an endogenous metabolite, the compound is naturally produced within the body as part of normal metabolic processes and is expected to be relatively non-toxic at physiological concentrations. However, comprehensive toxicology studies including acute, subchronic, and chronic toxicity assessments, as well as genotoxicity and reproductive toxicity evaluations, have not been reported. The compound is classified as a research chemical and is not approved for human use. Standard safety precautions should be observed when handling the compound, including the use of appropriate personal protective equipment. As with all chemicals, ingestion, inhalation, and skin contact should be avoided.
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| Additional Infomation |
2-Hydroxyhexanoic acid is a hydroxy fatty acid formed by replacing the hydroxyl group at the 2-position of hexanoic acid (hexanoic acid). It is an animal metabolite functionally related to hexanoic acid and is the conjugate acid of 2-hydroxyhexanoate. It has been reported that 2-hydroxyhexanoic acid is found in Streptomyces, African aloe vera, and European aspen, and relevant data are available for reference.
2-Hydroxyhexanoic acid is a valuable research tool for studying fatty acid metabolism and related processes. It is a hydroxy fatty acid that is caproic acid substituted by a hydroxy group at position 2. The compound is an endogenous metabolite and an animal metabolite. It has the molecular formula C₆H₁₂O₃ and a molecular weight of 132.16 g/mol. 2-Hydroxyhexanoic acid has been reported in Streptomyces. It is a conjugate acid of a 2-hydroxyhexanoate. The compound is not approved for any clinical indication and is strictly for research use only. Its role as an endogenous metabolite makes it a useful tool for studying fatty acid metabolism, energy metabolism, and related physiological processes. |
| Molecular Formula |
C6H12O3
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| Molecular Weight |
132.16
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| Exact Mass |
132.079
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| CAS # |
6064-63-7
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| PubChem CID |
99824
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| Appearance |
White to off-white solid powder
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| Density |
1.0160 (rough estimate)
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| Boiling Point |
270ºC at 760 mmHg
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| Melting Point |
55 - 58 °C
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| Flash Point |
>230 °F
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| Index of Refraction |
1.4828 (estimate)
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| LogP |
0.622
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
9
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| Complexity |
90.3
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCC(C(=O)O)O
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| InChi Key |
NYHNVHGFPZAZGA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
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| Chemical Name |
2-hydroxyhexanoic 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 (756.66 mM)
H2O: ≥ 100 mg/mL (756.66 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.92 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 (18.92 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 (18.92 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 (756.66 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 | 7.5666 mL | 37.8329 mL | 75.6659 mL | |
| 5 mM | 1.5133 mL | 7.5666 mL | 15.1332 mL | |
| 10 mM | 0.7567 mL | 3.7833 mL | 7.5666 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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