| Size | Price | |
|---|---|---|
| 100mg | ||
| 250mg | ||
| 500mg |
| Targets |
Coerulignone is a dimeric cyclic ketone arising from enzymatic oxidation of 2,6-dimethoxyphenol. As a quinone derivative, it has the potential to participate in redox reactions and may interact with cellular components through electron transfer mechanisms. Quinones are known to have various biological activities including antimicrobial, anticancer, and anti-inflammatory effects. However, the specific molecular targets of coerulignone have not been extensively characterized in the published literature.
|
|---|---|
| ln Vitro |
The biological activity of coerulignone has not been extensively characterized in the published literature. As a quinone compound, it may exhibit redox activity and potential antimicrobial or cytotoxic properties. Quinones are known to generate reactive oxygen species (ROS) through redox cycling, which can lead to oxidative stress and cell death. However, specific in vitro activity data for coerulignone are limited. The compound is primarily used as a research chemical for studying quinone chemistry and redox biology.
|
| ln Vivo |
In vivo biological activity data for coerulignone are limited. As a quinone compound, it may have potential biological effects related to its redox properties, but specific in vivo studies have not been extensively reported. The compound is primarily a research chemical rather than a therapeutic agent. Further studies would be needed to characterize any potential in vivo activity.
|
| Enzyme Assay |
As a research chemical, coerulignone is not typically subjected to standard receptor binding or enzyme inhibition assays. However, its redox properties can be characterized using electrochemical methods such as cyclic voltammetry. The compound's ability to generate reactive oxygen species can be assessed using ROS detection assays (e.g., DCFH-DA). Its interaction with biological molecules such as DNA or proteins can be studied using spectroscopic techniques. Standard chemical characterization includes melting point determination (293°C decomp.), UV-Vis spectroscopy, and HPLC analysis.
|
| Cell Assay |
Cell-based assays for coerulignone would typically involve treating various cell lines with the compound and assessing cell viability (MTT or CCK-8 assays), ROS generation (DCFH-DA), and apoptosis (Annexin V/PI staining). However, detailed published cellular assay protocols for coerulignone are limited. The compound's potential cytotoxic effects would be evaluated using standard cytotoxicity screening methods. As a quinone, it may exhibit concentration-dependent cytotoxicity due to redox cycling.
|
| Animal Protocol |
In vivo studies with coerulignone have not been extensively reported. As a research chemical, it is not typically used in animal studies. If used, standard protocols for toxicity and efficacy evaluation in rodent models would apply. The compound would be administered via appropriate routes (oral, intraperitoneal, or intravenous), and parameters such as body weight, clinical signs, and tissue histology would be monitored. However, no specific published in vivo protocols are available.
|
| ADME/Pharmacokinetics |
Coerulignone has molecular formula C16H16O6 and molecular weight 304.29. It has a melting point of 293°C (decomp.) and a density of 1.27 g/cm³. The compound is a dimeric cyclic ketone arising from enzymatic oxidation of 2,6-dimethoxyphenol. It is also known as cerulignone, cedriret, and 3,3',5,5'-tetramethoxy-4,4'-diphenoquinone. The compound is typically stored at room temperature and protected from light.
|
| Toxicity/Toxicokinetics |
Toxicological data for coerulignone are limited as it is a research chemical. As a quinone compound, it may have toxic potential due to its redox activity and ability to generate reactive oxygen species. The compound should be handled with appropriate laboratory safety precautions, including the use of personal protective equipment. Standard safety data for quinones suggest potential irritancy and toxicity at high concentrations. Further toxicological characterization would be required for any therapeutic development.
|
| Additional Infomation |
Coerulignone is a dicyclic ketone produced by the enzymatic oxidation of 2,6-dimethoxyphenol.
Coerulignone is a dimeric cyclic ketone arising from enzymatic oxidation of 2,6-dimethoxyphenol. It is also known as cerulignone, cedriret, and 3,3',5,5'-tetramethoxy-4,4'-diphenoquinone. The compound is used as a research chemical for studying quinone chemistry, redox biology, and potential biological applications. Its redox properties make it of interest for studies on oxidative stress and electron transfer mechanisms. |
| Molecular Formula |
C16H16O6
|
|---|---|
| Molecular Weight |
304.29464
|
| Exact Mass |
304.095
|
| CAS # |
493-74-3
|
| PubChem CID |
136320
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.27g/cm3
|
| Boiling Point |
629.9ºC at 760mmHg
|
| Melting Point |
293ºC (dec.)(lit.)
|
| Flash Point |
280.6ºC
|
| Vapour Pressure |
8.91E-16mmHg at 25°C
|
| Index of Refraction |
1.56
|
| LogP |
1.569
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
22
|
| Complexity |
563
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC1=CC(=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC
|
| InChi Key |
WASNBVDBYSQBPH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H16O6/c1-19-11-5-9(6-12(20-2)15(11)17)10-7-13(21-3)16(18)14(8-10)22-4/h5-8H,1-4H3
|
| Chemical Name |
4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethoxycyclohexa-2,5-dien-1-one
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 3.2863 mL | 16.4317 mL | 32.8634 mL | |
| 5 mM | 0.6573 mL | 3.2863 mL | 6.5727 mL | |
| 10 mM | 0.3286 mL | 1.6432 mL | 3.2863 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
