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| Targets |
4-Hydroxy-6-methyl-2-pyrone has been used in the synthesis of compounds with antiproliferative and apoptosis inducing activities. It was used in the design of human leukocyte elastase inhibitors. The compound's reactivity with αβ-unsaturated acyl chlorides makes it valuable for chemical synthesis. As a fungal metabolite, it may have natural biological activities that have not been extensively investigated. The compound's potential pharmacological activities remain to be fully characterized.
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| ln Vitro |
In vitro, 4-hydroxy-6-methyl-2-pyrone is used in the synthesis of pyrano[3,2-c]pyridones with antiproliferative and apoptosis inducing activities. It is also used in the design of human leukocyte elastase inhibitors. The compound serves as a biochemical reagent and fragment molecule for drug discovery. It is a useful metabolite for analytical and bioassay dereplication of crude microbial extracts. Cellular assays typically evaluate the activity of compounds synthesized using this building block.
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| ln Vivo |
In vivo data for 4-hydroxy-6-methyl-2-pyrone is limited, as it is primarily a research reagent. The compound has not been extensively investigated for pharmacological activity. It is classified for research use only and is not intended for human or veterinary applications. The compound's potential as a fungal metabolite suggests natural occurrence, though specific in vivo data is not available. Its primary value lies in its use as a synthetic intermediate.
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| Enzyme Assay |
In vitro enzyme assays for 4-hydroxy-6-methyl-2-pyrone are not typically performed, as it is primarily a synthetic intermediate. The compound is used in the synthesis of human leukocyte elastase inhibitors. A typical assay involves using the compound in chemical reactions to prepare benzisothiazolone derivatives. The final compounds are evaluated for elastase inhibitory activity using purified human leukocyte elastase in appropriate buffer systems. Enzyme activity is measured using chromogenic or fluorogenic substrates. IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for 4-hydroxy-6-methyl-2-pyrone derivatives typically evaluate antiproliferative and apoptosis inducing activities. A standard protocol involves culturing cancer cell lines in growth medium at 37°C with 5% CO₂. Cells are treated with varying concentrations of synthesized compounds. Cell viability is assessed using MTT or similar assays. Apoptosis is evaluated using flow cytometry with Annexin V/PI staining or caspase activity assays. IC₅₀ values are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for 4-hydroxy-6-methyl-2-pyrone are not standard, as it is a research reagent rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would typically be conducted on the final compounds synthesized using this building block. The compound has not been extensively investigated for pharmacological activity. Specific in vivo protocols are not available in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 4-hydroxy-6-methyl-2-pyrone is limited, as it is primarily a research reagent. The compound has a molecular weight of approximately 126.11 g/mol. It is stored as a solid at room temperature. As a pyrone, the compound may undergo metabolic conjugation and ring opening. Specific ADME data is not available in the public literature.
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| Toxicity/Toxicokinetics |
Toxicological data for 4-hydroxy-6-methyl-2-pyrone is limited, as it is primarily a research reagent. The compound is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
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| Additional Infomation |
Triacetate lactone is a 2-pyranone compound and is the conjugate acid of the Triacetate lactone oxyanion. 4-Hydroxy-6-methyl-2-pyranone has been reported in Rigidoporus sanguinolentus, and relevant data are available.
4-Hydroxy-6-methyl-2-pyrone (CAS 675-10-5) is a biochemical reagent and fungal metabolite. It is used in the synthesis of antiproliferative compounds and elastase inhibitors. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. Its applications are limited to research and chemical synthesis. |
| Molecular Formula |
C6H6O3
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|---|---|
| Molecular Weight |
126.11
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| Exact Mass |
126.031
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| CAS # |
675-10-5
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| PubChem CID |
54675757
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
239.1±40.0 °C at 760 mmHg
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| Melting Point |
188-190 °C (dec.)(lit.)
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| Flash Point |
108.7±20.1 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.561
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| LogP |
0.15
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
9
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| Complexity |
200
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=CC(=O)O1)O
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| InChi Key |
NSYSSMYQPLSPOD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
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| Chemical Name |
4-hydroxy-6-methylpyran-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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.9296 mL | 39.6479 mL | 79.2959 mL | |
| 5 mM | 1.5859 mL | 7.9296 mL | 15.8592 mL | |
| 10 mM | 0.7930 mL | 3.9648 mL | 7.9296 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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