| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Dibenzo-18-crown-6 does not target a specific protein or enzyme as a pharmacological agent. Its utility is as a macrocyclic ligand and phase-transfer catalyst rather than as a drug targeting specific molecular targets. The compound selectively binds alkali metal cations through its crown ether cavity, forming stable complexes. This binding is based on the size and electronic complementarity between the crown ether cavity and the metal ion, rather than specific biological target engagement.
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|---|---|
| ln Vitro |
The in vitro activity of Dibenzo-18-crown-6 is its function as a macrocyclic ligand for the selective binding and extraction of alkali metal cations. The crown ether cavity selectively binds metal ions based on size compatibility. The compound acts as a phase-transfer catalyst employed in monoazaporphyrin syntheses and is used in the construction of catalytic and sensing systems. The compound's ability to form stable complexes with metal ions makes it valuable for various chemical applications.
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| ln Vivo |
No significant in vivo activity has been reported for Dibenzo-18-crown-6 as a therapeutic agent. The compound is primarily utilized as a chemical reagent and phase-transfer catalyst rather than a pharmacologically active compound. It is not intended for therapeutic use in living organisms.
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| Enzyme Assay |
In vitro assays for Dibenzo-18-crown-6 are not typically performed in the context of enzyme or receptor binding, as the compound is a chemical reagent rather than a drug targeting specific biological targets. The compound is used in phase-transfer catalysis and metal ion extraction applications where it forms complexes with alkali metal cations.
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| Cell Assay |
For in vitro cellular experiments, Dibenzo-18-crown-6 is not typically used in cell-based assays. The compound is primarily used as a chemical reagent in organic synthesis and metal ion chemistry.
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| Animal Protocol |
In vivo animal experiments with Dibenzo-18-crown-6 are not commonly performed, as the compound is primarily used as a chemical reagent rather than a therapeutic candidate. Crown ethers are known to be toxic, and handling should be done with care.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Dibenzo-18-crown-6 have not been characterized, as the compound is a research-use chemical reagent rather than a drug candidate. The compound has a molecular weight of 360.40 g/mol and a melting point of 161-164°C. It is sparingly soluble in water and should be stored below +30°C.
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| Toxicity/Toxicokinetics |
Dibenzo-18-crown-6 is intended for research use only and not for human therapeutic or diagnostic applications. Crown ethers are known to be toxic, and handling should be done with care. Standard laboratory safety precautions should be observed.
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| Additional Infomation |
Dibenzo-18-crown ether-6 is a crown ether with its structure consisting of 18-crown ether-6 fused to two benzene rings at ortho-positions 8-9 and 17-18. It can be used as a phase transfer catalyst. It belongs to the benzene family and is also a crown ether.
Dibenzo-18-crown-6 (DB18C6) (CAS#: 14187-32-7) is a crown ether macrocycle used as a macrocyclic ligand for the selective binding and extraction of alkali metal cations. It acts as a phase-transfer catalyst and is used in catalytic and sensing systems. The compound has no clinical or therapeutic applications. |
| Molecular Formula |
C20H24O6
|
|---|---|
| Molecular Weight |
360.40096
|
| Exact Mass |
360.157
|
| CAS # |
14187-32-7
|
| Related CAS # |
77110-11-3
|
| PubChem CID |
26541
|
| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
503.1±50.0 °C at 760 mmHg
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| Melting Point |
162-164 °C(lit.)
|
| Flash Point |
206.0±30.0 °C
|
| Vapour Pressure |
0.0±1.2 mmHg at 25°C
|
| Index of Refraction |
1.5
|
| LogP |
2.2
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
26
|
| Complexity |
300
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1
|
| InChi Key |
YSSSPARMOAYJTE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2
|
| Chemical Name |
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
|
| 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
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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 | 2.7747 mL | 13.8735 mL | 27.7469 mL | |
| 5 mM | 0.5549 mL | 2.7747 mL | 5.5494 mL | |
| 10 mM | 0.2775 mL | 1.3873 mL | 2.7747 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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