| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
1,3-Cyclopentanedione has been shown to have insulin sensitizing effects in rats and may also have anti-inflammatory properties. The compound's reactivity with biological molecules and its role as a carboxylic acid isostere contribute to its antimicrobial properties. It has been used in the total synthesis of estrone and related 19-norsteroids, and its analogs have shown important antiviral and antineoplastic activities.
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| ln Vitro |
In vitro, 1,3-cyclopentanedione is used as a chemical reagent and synthetic intermediate. It is used in the synthesis of chemical probes for selective labeling of sulfenic acid proteins and in the synthesis of enaminones with possible anticonvulsant activity. The compound is also used in the synthesis of PGB1 analogs and Knoevenagel products. Its antimicrobial properties have been studied.
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| ln Vivo |
In vivo, 1,3-cyclopentanedione has been shown to have insulin sensitizing effects in rats and may also have anti-inflammatory properties. The compound's analogs have shown important antiviral and antineoplastic activities. Specific in vivo pharmacokinetic and pharmacodynamic data for the parent compound are not well-documented in the public literature.
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| Enzyme Assay |
For in vitro biochemical assays, 1,3-cyclopentanedione is used as a reagent for the synthesis of chemical probes for selective labeling of sulfenic acid proteins. Standard protocols involve reacting the compound with appropriate reagents to introduce the cyclopentanedione moiety into probe molecules. The compound's diketone functionality enables selective reaction with sulfenic acid-modified proteins for detection and characterization.
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| Cell Assay |
For in vitro cell-based experiments, 1,3-cyclopentanedione can be evaluated for antimicrobial and anticonvulsant activities. The compound's antimicrobial properties can be assessed using standard broth microdilution methods against various bacterial and fungal strains. For anticonvulsant activity, the compound can be evaluated in cell-based models of neuronal excitability.
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| Animal Protocol |
In vivo animal studies using 1,3-cyclopentanedione have been conducted to evaluate its insulin sensitizing effects in rats. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with measurement of blood glucose, insulin sensitivity, and inflammatory markers. The compound's analogs have been evaluated in antiviral and antineoplastic models.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 1,3-cyclopentanedione are not extensively characterized. The compound has a molecular weight of 98.10 g/mol, which is very favorable for oral bioavailability. As a small, polar diketone, it is expected to have good water solubility and rapid absorption. Empirical pharmacokinetic data such as half-life, clearance, and volume of distribution are not available in the public literature.
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| Toxicity/Toxicokinetics |
1,3-Cyclopentanedione is a research chemical and should be handled with appropriate laboratory safety precautions. As a diketone, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
Cyclopentane-1,3-dione is a β-diketone belonging to the cyclopentanone class of compounds. It has been reported that 1,3-cyclopentanedione is present in tobacco (Nicotiana tabacum), and relevant data are available for reference.
1,3-Cyclopentanedione (CPD, CAS 3859-41-4) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are in the synthesis of chemical probes for protein labeling, in the synthesis of enaminones with anticonvulsant activity, and in steroid synthesis. The compound shows insulin sensitizing and anti-inflammatory properties. No clinical trials or approved indications exist. |
| Molecular Formula |
C5H6O2
|
|---|---|
| Molecular Weight |
98.10
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| Exact Mass |
98.036
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| CAS # |
3859-41-4
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| PubChem CID |
77466
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| Appearance |
Yellow to brown solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
221.8±23.0 °C at 760 mmHg
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| Melting Point |
149-151 °C(lit.)
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| Flash Point |
80.1±19.6 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.483
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| LogP |
-1.27
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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 |
101
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1CCC(=O)C1
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| InChi Key |
LOGSONSNCYTHPS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
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| Chemical Name |
cyclopentane-1,3-dione
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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 | 10.1937 mL | 50.9684 mL | 101.9368 mL | |
| 5 mM | 2.0387 mL | 10.1937 mL | 20.3874 mL | |
| 10 mM | 1.0194 mL | 5.0968 mL | 10.1937 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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