![Cucurbit[7]uril (CB7; Carrier CB7)](/upload/1124/V65390.png)
| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| Other Sizes |
| Targets |
Cucurbit[7]uril does not have specific biological receptors as its primary targets. Its mechanism of action is based on molecular recognition and host-guest chemistry. The rigid barrel-like structure with a hydrophobic cavity and carbonyl-fringed portals allows it to selectively encapsulate guest molecules of appropriate size, shape, and polarity. This property makes it a promising candidate for various applications in drug delivery, catalysis, and sensing. It enhances photosensitization of porphyrins in neuroblastoma cells.
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| ln Vitro |
Cucurbit[7]uril is a biochemical reagent that can be utilized in life science research as an organic compound or biological material.
In vitro, cucurbit[7]uril is used as a biochemical reagent and organic compound for life science research. It enhances photosensitization of porphyrins in neuroblastoma cells. The compound's high binding affinity to various guests makes it useful for studying molecular recognition, drug delivery systems, and as a component in biosensors. Cellular assays may evaluate its effects on photosensitization, drug delivery efficiency, or cytotoxicity. The compound's ability to form stable inclusion complexes with drugs can modulate their pharmacokinetic properties. |
| ln Vivo |
In vivo, cucurbit[7]uril is being investigated as an emerging candidate for pharmaceutical excipients. Its ability to form host-guest complexes with drugs can improve drug solubility, stability, and targeted delivery. The compound's rigid structure and high binding affinity make it suitable for in vivo applications where controlled drug release is desired. Specific in vivo data is limited, but its potential as a drug delivery vehicle and pharmaceutical excipient is being actively explored. The compound is classified for research use only.
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| Enzyme Assay |
In vitro assays for cucurbit[7]uril typically evaluate its host-guest binding properties and effects on photosensitization. A standard protocol involves incubating the compound with guest molecules (e.g., drugs, amino acids, porphyrins) in appropriate buffer systems. Binding affinity is assessed using techniques such as isothermal titration calorimetry, UV-Vis spectroscopy, or fluorescence spectroscopy. For photosensitization studies, neuroblastoma cells are treated with cucurbit[7]uril and porphyrins, followed by light irradiation. Cell viability and reactive oxygen species production are measured. Binding constants are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for cucurbit[7]uril typically evaluate its effects on photosensitization and drug delivery. A standard protocol involves culturing neuroblastoma or other cell lines in growth medium at 37°C with 5% CO₂. Cells are treated with cucurbit[7]uril alone or in combination with guest molecules (e.g., porphyrins, drugs) at varying concentrations. For photosensitization studies, cells are irradiated with light and cell viability is assessed using MTT or similar assays. Reactive oxygen species production is measured using fluorescent probes. Drug delivery efficiency is evaluated by measuring cellular uptake of guest molecules.
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| Animal Protocol |
In vivo animal studies for cucurbit[7]uril are being conducted to evaluate its potential as a pharmaceutical excipient and drug delivery vehicle. A common protocol involves administering the compound or its inclusion complexes to rodents via intravenous injection or oral gavage. Pharmacokinetic parameters such as bioavailability, tissue distribution, and clearance are assessed. Efficacy studies may use disease models (e.g., cancer) to evaluate the therapeutic effect of drug-CB7 complexes. Toxicity and biocompatibility are evaluated by monitoring body weight, clinical signs, and organ histopathology.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for cucurbit[7]uril is limited, as it is primarily a research reagent. The compound has a molecular weight of 1162.96 g/mol and a molecular formula of C₄₂H₄₂N₂₈O₁₄. It is a solid powder and is stored as a powder at -20°C for up to 3 years or in solvent at -80°C for up to 1 year. It is soluble in water at 50 mg/mL. As a large macrocyclic molecule, it is expected to have limited oral bioavailability and to be primarily excreted unchanged.
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| Toxicity/Toxicokinetics |
Cucurbit[7]uril is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a sealed container, protected from moisture. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
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| Additional Infomation |
Cucurbit[7]uril is a type of cucurbituril.
Cucurbit[7]uril (CB7, CAS 259886-50-5) is a macrocyclic host molecule belonging to the cucurbit[n]uril family. It consists of seven glycoluril units linked by methylene bridges, forming a rigid, symmetric barrel-shaped structure with a hydrophobic cavity. The compound is an emerging candidate for pharmaceutical excipients and drug delivery vehicles. It is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. |
| Molecular Formula |
C42H42N28O14
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|---|---|
| Molecular Weight |
1162.96
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| Exact Mass |
1162.34
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| CAS # |
259886-50-5
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| PubChem CID |
6096207
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| Appearance |
Off-white to light yellow solid powder
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| Density |
2.69
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| LogP |
-8
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
14
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
84
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| Complexity |
2540
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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%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O
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| InChi Key |
ZDOBFUIMGBWEAB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2
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| Chemical Name |
3,5,8,10,13,15,18,20,23,25,28,30,33,35,36,38,40,42,46,48,50,52,54,56,58,60,62,64-octacosazadocosacyclo[30.3.3.36,7.311,12.316,17.321,22.326,27.22,36.231,38.13,35.15,8.110,13.115,18.120,23.125,28.130,33.140,46.142,64.148,50.152,54.156,58.160,62]heptacontane-39,41,43,44,45,47,49,51,53,55,57,59,61,63-tetradecone
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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) |
H2O: 50 mg/mL (42.99 mM)
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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 | 0.8599 mL | 4.2994 mL | 8.5987 mL | |
| 5 mM | 0.1720 mL | 0.8599 mL | 1.7197 mL | |
| 10 mM | 0.0860 mL | 0.4299 mL | 0.8599 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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