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| Other Sizes |
| Targets |
The compound targets endogenous metabolic pathways as an endogenous metabolite. It is a small active molecule that can be used as a drug intermediate. As a δ-lactone, it may interact with esterases and other hydrolytic enzymes. Its antioxidant capacity suggests it may scavenge reactive oxygen species and protect against oxidative stress.
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| ln Vitro |
In vitro, tetrahydro-2H-pyran-2-one exhibits antioxidant capacity. It is used as a building block in organic synthesis and as a monomer for polymerization reactions. The compound's antioxidant activity can be measured by DPPH radical scavenging assays or by measuring the inhibition of lipid peroxidation. It is also used in studies of enzyme-catalyzed ring-opening polymerization.
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| ln Vivo |
In vivo, tetrahydro-2H-pyran-2-one is an endogenous metabolite. Its antioxidant capacity suggests potential protective effects against oxidative stress in vivo. The compound is metabolized and eliminated through normal metabolic pathways. As a δ-lactone, it may be hydrolyzed by lactonases to the corresponding hydroxy acid. Further studies are needed to characterize its in vivo pharmacological activity.
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| Enzyme Assay |
In vitro enzyme assays for lactonase activity involve incubating tetrahydro-2H-pyran-2-one with the enzyme in Tris-HCl buffer at pH 7.4. The hydrolysis product (5-hydroxyvaleric acid) is quantified by HPLC or LC-MS. For lipase-catalyzed polymerization studies, the compound is incubated with lipase in organic solvent at 60-80°C, and polymer formation is monitored by GPC or NMR. Antioxidant assays are performed using DPPH or ABTS radical scavenging methods.
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| Cell Assay |
For in vitro cell assays, cells are cultured in medium supplemented with tetrahydro-2H-pyran-2-one at concentrations of 0.1-10 mM. Cell viability is assessed by MTT assay. Oxidative stress is induced by H2O2 or other oxidants, and the compound's protective effects are evaluated by measuring reactive oxygen species (ROS) levels using fluorescent probes such as DCFH-DA. The compound's antioxidant capacity is assessed by various biochemical assays.
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| Animal Protocol |
For in vivo animal studies, tetrahydro-2H-pyran-2-one is typically administered to rodents via oral gavage or intraperitoneal injection at doses of 10-100 mg/kg. Blood and tissue samples are collected for pharmacokinetic analysis. The compound is quantified by GC-MS or LC-MS. Oxidative stress markers such as malondialdehyde (MDA) and glutathione (GSH) levels are measured to assess antioxidant effects. Tissue distribution studies are performed to understand its disposition.
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| ADME/Pharmacokinetics |
Tetrahydro-2H-pyran-2-one has a molecular weight of 100.12. It is a water-soluble compound with a low melting point and high vapor pressure. The compound is stable under standard storage conditions. It is absorbed and metabolized through normal metabolic pathways. As a small lactone, it is expected to be readily absorbed and distributed. The compound is used as a drug intermediate.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available in the search results. As an endogenous metabolite, it is expected to have low toxicity at physiological concentrations. Standard safety precautions should be followed when handling. The compound is used as an ingredient in cosmetics, suggesting favorable safety profile at low concentrations.
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| References | |
| Additional Infomation |
5-Valtilide is the simplest member of the δ-lactone class. It is a tetrahydro-2H-pyran with an oxo group substituted at the 2-position. It is derived from the hydride of oxacyclohexane. δ-Valtilide has been reported to exist in calendula (Clerodendrum mandarinorum) and linear reed (Aspalathus linearis), and relevant data are available.
Tetrahydro-2H-pyran-2-one (CAS# 542-28-9) is a chemical intermediate and research reagent used primarily in organic synthesis and polymer chemistry. It has not been investigated in clinical trials nor approved as a therapeutic drug. The compound is used as a sample preparation agent in NMR spectroscopy and as an ingredient in cosmetics. Its antioxidant properties make it of interest in oxidative stress research. |
| Molecular Formula |
C5H8O2
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|---|---|
| Molecular Weight |
100.12
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| Exact Mass |
100.052
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| CAS # |
542-28-9
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| Related CAS # |
Tetrahydro-2H-pyran-2-one-d4;42932-61-6
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| PubChem CID |
10953
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
218.0±8.0 °C at 760 mmHg
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| Melting Point |
-13 °C
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| Flash Point |
100.0±0.0 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.440
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| LogP |
-0.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
7
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| Complexity |
78.1
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCOC(=O)C1
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| InChi Key |
OZJPLYNZGCXSJM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
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| Chemical Name |
oxan-2-one
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 (998.80 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (24.97 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 (24.97 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 9.9880 mL | 49.9401 mL | 99.8801 mL | |
| 5 mM | 1.9976 mL | 9.9880 mL | 19.9760 mL | |
| 10 mM | 0.9988 mL | 4.9940 mL | 9.9880 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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