| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
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| Other Sizes |
| Targets |
Cucurbituril does not have a defined pharmacological target as it is a supramolecular host molecule. The compound is used in supramolecular chemistry for molecular encapsulation and drug delivery. Its cavity allows for the encapsulation of cations or organic small molecules. The compound is used for supramolecular catalysis platforms and as a drug delivery vehicle.
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|---|---|
| ln Vitro |
No specific in vitro pharmacological activity data are available for cucurbituril as a drug candidate. In research settings, the compound is evaluated for its host-guest chemistry properties, encapsulation efficiency, and drug delivery potential. Its activity is assessed in terms of binding affinity, selectivity for guest molecules, and release kinetics rather than direct pharmacological activity.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for cucurbituril as a therapeutic agent. The compound is used in supramolecular chemistry and drug delivery research. It may be evaluated in animal models for drug delivery applications. The compound is a macrocyclic host molecule used for molecular encapsulation.
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| Enzyme Assay |
For non-cellular assays, cucurbituril is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated for its host-guest binding properties using isothermal titration calorimetry, NMR spectroscopy, or fluorescence spectroscopy. Typical protocols involve dissolving the compound in aqueous or organic solvents and measuring binding constants with various guest molecules. Purity is typically ≥97% to ≥98%. The compound has a molecular weight of 996.82 and molecular formula C36H36N24O12.
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| Cell Assay |
For in vitro cell-based studies, cucurbituril can be used in drug delivery studies. The compound is typically dissolved in aqueous buffers and tested for cytotoxicity and cellular uptake. Cells are cultured under standard conditions and treated with cucurbituril or cucurbituril-guest complexes to assess delivery efficiency and biological effects. Appropriate controls should be included in the experimental design.
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| Animal Protocol |
For in vivo animal studies, cucurbituril can be formulated for drug delivery applications. The compound is used as a host molecule for encapsulating drugs and delivering them to target tissues. Dosing solutions should be freshly prepared using appropriate vehicles. Standard animal welfare guidelines should be followed for all in vivo studies.
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| ADME/Pharmacokinetics |
Cucurbituril has a molecular weight of 996.82 and molecular formula C36H36N24O12. It has an MDL number of MFCD10567435. Purity: typically ≥97% to ≥98%. Storage: keep in a cool, dry place protected from light and moisture. The compound is a macrocyclic host molecule with a hydrophobic central cavity.
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| Toxicity/Toxicokinetics |
Cucurbituril is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
Cucurbit[6]uril is a type of cucurbituril.
Cucurbituril (CAS 80262-44-8) is also known as cucurbit[7]uril and cucurbit[6]uril hydrate. It has an MDL number of MFCD10567435. The compound is a synthetic host molecule used in supramolecular chemistry, molecular encapsulation, drug delivery, and catalysis. No clinical trials or therapeutic approvals exist. |
| Molecular Formula |
C36H36N24O12
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|---|---|
| Molecular Weight |
996.82
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| Exact Mass |
996.294
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| CAS # |
80262-44-8
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| PubChem CID |
196163
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| Appearance |
White to off-white solid powder
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| Density |
2.66g/cm3
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| Melting Point |
-470ºC
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| Index of Refraction |
2.341
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| LogP |
-6.8
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
72
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| Complexity |
2140
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C1=O
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| InChi Key |
MSBXTPRURXJCPF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C36H36N24O12/c61-25-37-1-38-14-16-42(26(38)62)4-46-18-20-50(30(46)66)8-54-22-24-58(34(54)70)11-57-23-21-53(33(57)69)7-49-19-17-45(29(49)65)3-41(25)15-13(37)39-2-40(14)28(64)44(16)6-48(18)32(68)52(20)10-56(22)36(72)60(24)12-59(23)35(71)55(21)9-51(19)31(67)47(17)5-43(15)27(39)63/h13-24H,1-12H2
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| Chemical Name |
3,5,8,10,13,15,18,20,23,25,28,30,31,33,35,37,41,43,45,47,49,51,53,55-tetracosazanonadecacyclo[25.3.3.36,7.311,12.316,17.321,22.22,31.226,33.13,30.15,8.110,13.115,18.120,23.125,28.135,41.137,55.143,45.147,49.151,53]hexacontane-34,36,38,39,40,42,44,46,48,50,52,54-dodecone
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 | 1.0032 mL | 5.0160 mL | 10.0319 mL | |
| 5 mM | 0.2006 mL | 1.0032 mL | 2.0064 mL | |
| 10 mM | 0.1003 mL | 0.5016 mL | 1.0032 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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