| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
Tetrahydro-4H-pyran-4-one does not have a defined pharmacological target of its own, as it is a synthetic intermediate. As a cyclic ketone, it serves as a building block for the synthesis of various biologically active compounds. The ketone group provides a handle for nucleophilic addition and other transformations.
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|---|---|
| ln Vitro |
used to create the symmetrical tetrasubstituted methane and the 4-methoxytetrahydropyran-4-yl protecting group. Methyl enol ether compares favorably to 3,4-dihydro-2H-pyran and is a helpful alcohol protective agent, for example in nucleotide synthesis. Additionally, it was utilized to investigate the enantioselective α-aminooxylation of ketones in ionic liquids using nitrosobenzene and L-proline. In the process of making spirimidazolones and dipeptides, it passes through condensation processes. It also plays a role in the wittig reaction, which produces vitamin D3 rings and penicillin.
In vitro, tetrahydro-4H-pyran-4-one is primarily used as a chemical reagent and synthetic intermediate. As a cyclic ketone, it is a building block for the construction of tetrahydropyran-containing compounds, which are common in natural products and pharmaceuticals. |
| ln Vivo |
In vivo activity data for tetrahydro-4H-pyran-4-one itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of drug candidates that are subsequently evaluated in animal models.
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| Enzyme Assay |
For in vitro chemical synthesis, tetrahydro-4H-pyran-4-one is used as a building block. The ketone group can undergo nucleophilic addition reactions with organometallic reagents to form tertiary alcohols. It can also be reduced to the corresponding alcohol or converted to other functional groups. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions.
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| Cell Assay |
For in vitro cell-based experiments, tetrahydro-4H-pyran-4-one is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO.
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| Animal Protocol |
In vivo animal studies using tetrahydro-4H-pyran-4-one are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For pharmaceutical candidates derived from this building block, efficacy studies would typically be performed in mouse models of the relevant disease.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of tetrahydro-4H-pyran-4-one as a standalone compound are not characterized in the literature. The compound is a liquid and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
Tetrahydro-4H-pyran-4-one is a research chemical and should be handled with appropriate laboratory safety precautions. As a ketone, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications.
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| Additional Infomation |
Tetrahydro-4H-pyran-4-one (CAS 29943-42-8) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for organic synthesis and as a biochemical reagent for biomedical research.
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| Molecular Formula |
C5H8O2
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|---|---|
| Molecular Weight |
100.12
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| Exact Mass |
100.052
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| CAS # |
29943-42-8
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| PubChem CID |
121599
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| Appearance |
Colorless to light yellow liquid（Density：1.0980 g/cm³）
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
167.5±15.0 °C at 760 mmHg
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| Flash Point |
56.7±0.0 °C
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| Vapour Pressure |
1.7±0.3 mmHg at 25°C
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| Index of Refraction |
1.440
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| LogP |
-0.78
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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 |
70.1
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C([H])([H])C([H])([H])C(C([H])([H])C1([H])[H])=O
|
| InChi Key |
JMJRYTGVHCAYCT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2
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| Chemical Name |
oxan-4-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 |
| 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (24.97 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 | 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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