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| Other Sizes |
| Targets |
Dihydrofuran-3(2H)-one is a versatile building block that can be used to synthesize inhibitors targeting serine proteases such as plasmin. Plasmin is a key enzyme in the fibrinolytic system that degrades fibrin clots. By serving as a precursor for plasmin inhibitors, dihydrofuran-3(2H)-one can contribute to the development of antithrombotic agents. Additionally, it is used in the preparation of dihydropteridinones, which are inhibitors of Polo-like kinase-2 (Plk-2). Plk-2 is a serine/threonine kinase involved in cell cycle regulation and is a target for cancer therapy.
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| ln Vitro |
Dihydrofuran-3(2H)-one exhibits in vitro activity as a synthetic intermediate and fragment molecule. It is used to prepare cyclic ketone inhibitors that inhibit the serine protease plasmin. The compound's activity is assessed in chemical synthesis reactions, where it serves as a precursor for more complex molecules. Its utility as a scaffold for drug discovery is demonstrated by its use in the preparation of Plk-2 inhibitors. These in vitro activities confirm its value as a building block in medicinal chemistry.
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| ln Vivo |
Dihydrofuran-3(2H)-one is not typically used as a therapeutic agent in vivo. However, its derivatives, such as plasmin inhibitors and Plk-2 inhibitors, may have therapeutic applications. The compound itself is a reagent and intermediate used in the synthesis of these bioactive molecules. Its in vivo effects are not relevant to its primary use as a chemical building block.
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| Enzyme Assay |
In vitro assays for dihydrofuran-3(2H)-one are chemical rather than biological. The compound's utility as a building block is assessed by its reactivity in organic synthesis reactions. The formation of cyclic ketone inhibitors or dihydropteridinones from dihydrofuran-3(2H)-one is monitored by analytical techniques such as NMR, HPLC, or mass spectrometry. These assays confirm the compound's suitability for the synthesis of bioactive molecules.
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| Cell Assay |
Dihydrofuran-3(2H)-one is not typically used in cellular assays, as it is a chemical reagent rather than a biological agent. However, its derivatives, such as plasmin inhibitors or Plk-2 inhibitors, may be tested in cellular assays. These assays would assess the biological activity of the final compounds, not dihydrofuran-3(2H)-one itself.
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| Animal Protocol |
Dihydrofuran-3(2H)-one is not used in animal experiments as a therapeutic agent. However, its derivatives, such as Plk-2 inhibitors, may be tested in animal models of cancer. These studies would evaluate the efficacy of the final compounds, not dihydrofuran-3(2H)-one itself.
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| ADME/Pharmacokinetics |
Dihydrofuran-3(2H)-one is a small, polar molecule with a molecular weight of 86.09. It is a liquid at room temperature and is soluble in organic solvents. Its pharmacokinetic profile is not relevant to its primary use as a chemical reagent. The compound is typically stored at 4°C.
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| Toxicity/Toxicokinetics |
Dihydrofuran-3(2H)-one is considered to have low toxicity based on its use as a research compound. However, comprehensive toxicological evaluations have not been extensively published. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| Additional Infomation |
Oxycyclopentan-3-one is an oxycyclopentane with an oxo group substituted at the 3-position. It is functionally related to oxycyclopentanes.
Dihydrofuran-3(2H)-one is a cyclic ketone used as a fragment molecule and building block in drug discovery. It is also known as 3-oxotetrahydrofuran or oxolan-3-one. The compound is used for synthesizing cyclic ketone inhibitors that inhibit the serine protease plasmin. It is also a reagent in the preparation of dihydropteridinones, which are orally active Polo-like kinase-2 (Plk-2) inhibitors. Its versatility as a scaffold makes it a valuable tool in medicinal chemistry. |
| Molecular Formula |
C₄H₆O₂
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|---|---|
| Molecular Weight |
86.09
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| Exact Mass |
86.036
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| CAS # |
22929-52-8
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| PubChem CID |
529392
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| Appearance |
Colorless to light yellow liquid（Density：1.1124 g/cm3）
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
151.1±23.0 °C at 760 mmHg
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| Flash Point |
56.3±16.2 °C
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| Vapour Pressure |
3.7±0.3 mmHg at 25°C
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| Index of Refraction |
1.442
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| LogP |
-1.14
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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 |
6
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| Complexity |
67.9
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C([H])([H])C(C([H])([H])C1([H])[H])=O
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| InChi Key |
JLPJFSCQKHRSQR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
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| Chemical Name |
oxolan-3-one
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| Synonyms |
Dihydrofuran3(2H)one; Dihydrofuran 3(2H) 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 (~1161.58 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 10 mg/mL (116.16 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 100.0 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: ≥ 10 mg/mL (116.16 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 100.0 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: ≥ 10 mg/mL (116.16 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 | 11.6158 mL | 58.0788 mL | 116.1575 mL | |
| 5 mM | 2.3232 mL | 11.6158 mL | 23.2315 mL | |
| 10 mM | 1.1616 mL | 5.8079 mL | 11.6158 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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