| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
Specific target information for 2,2,5,5-Tetramethylcyclohexane-1,4-dione is not documented in the search results. As a natural monoterpenoid, it may have biological activities, but its primary molecular target remains uncharacterized. It is classified under "Others" as a target, indicating that it does not have a well-defined receptor or enzyme target.
|
|---|---|
| ln Vitro |
Specific in vitro activity data is not provided. The compound is not described as having significant biological activity in standard cell-based assays. It is a natural product standard used primarily for analytical and isolation studies. No IC50 or EC50 values are reported.
|
| ln Vivo |
Specific in vivo activity data is not available. The compound has not been reported to be administered in animal models for efficacy studies. It is used as a reference standard, not as a therapeutic agent. Its in vivo pharmacological profile remains uncharacterized.
|
| Enzyme Assay |
Not applicable. 2,2,5,5-Tetramethylcyclohexane-1,4-dione is not used in cell-free binding assays. It is a monoterpenoid reference standard for analytical chemistry. Its characterization involves HPLC, NMR, and MS to confirm identity and purity, not biological binding studies.
|
| Cell Assay |
Not applicable. The compound is not tested in cell-based assays for biological activity. It is a natural product standard used in analytical chemistry to quantify monoterpenoids in plant extracts. No cellular assay protocols are described for this compound.
|
| Animal Protocol |
Not applicable. The compound is not used in animal studies as a test article. It is a reference standard for analytical applications. Any in vivo studies would involve the quantification of this compound in biological samples using the standard as a calibrator.
|
| ADME/Pharmacokinetics |
Specific pharmacokinetic data is not available. As a small monoterpenoid, it may be absorbed and metabolized, but no ADME studies have been reported. Without such data, its oral bioavailability, half-life, or tissue distribution cannot be assessed.
|
| Toxicity/Toxicokinetics |
Specific toxicology data is not provided. As a natural product, it is presumed to have low toxicity at the concentrations used for analytical purposes. Standard laboratory safety precautions for handling organic compounds should be followed. The compound is for research use only and is not intended for human consumption.
|
| Additional Infomation |
2,2,5,5-Tetramethylcyclohexane-1,4-dione is a monoterpenoid natural product that can be isolated from Schefflera odorifera and Liriodendron tulipifera. It is used as a reference standard for natural product research and analytical chemistry. The compound is for research use only and is not an approved drug. It is stored as a powder at -20degC for long-term stability.
|
| Molecular Formula |
C10H16O2
|
|---|---|
| Molecular Weight |
168.23
|
| Exact Mass |
168.115
|
| CAS # |
86838-54-2
|
| PubChem CID |
13390715
|
| Appearance |
Typically exists as solids at room temperature
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
240.8±33.0 °C at 760 mmHg
|
| Flash Point |
88.1±22.4 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.441
|
| Source |
Originated from plants: Magnoliaceae Liriodendron tulipifera L.
|
| LogP |
1.15
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
12
|
| Complexity |
210
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1(CC(=O)C(CC1=O)(C)C)C
|
| InChi Key |
OTQZSPVHJYLKOL-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H16O2/c1-9(2)5-8(12)10(3,4)6-7(9)11/h5-6H2,1-4H3
|
| Chemical Name |
2,2,5,5-tetramethylcyclohexane-1,4-dione
|
| 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 | 5.9442 mL | 29.7212 mL | 59.4424 mL | |
| 5 mM | 1.1888 mL | 5.9442 mL | 11.8885 mL | |
| 10 mM | 0.5944 mL | 2.9721 mL | 5.9442 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
