| Size | Price | Stock | Qty |
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| Targets |
Desacetylcinobufotalin targets apoptosis pathways, modulating Bax and Bcl-2 protein levels. It induces apoptosis in HepG2 cells by reducing Bax and Bcl-2 expression. The compound’s mechanism involves the regulation of Bcl-2 family proteins. As a natural compound, it acts as an apoptosis inducer. The compound shows marked inhibition of HepG2 cells, indicating its potential as an anti-cancer agent. Its effects on apoptosis pathways make it a valuable tool for cancer research.
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| ln Vitro |
In vitro, Desacetylcinobufotalin shows marked inhibition of HepG2 cells with an IC50 of 0.0279 μmol/mL. The compound induces apoptosis in HepG2 cells by modulating Bax and Bcl-2 protein levels. It acts as an apoptosis inducer. Desacetylcinobufotalin’s potent cytotoxicity against HepG2 cells has been demonstrated in various cell-based assays. The compound shows significant inhibitory effects on cancer cells. Its apoptosis-inducing properties have been characterized in vitro.
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| ln Vivo |
In vivo, Desacetylcinobufotalin has been studied for its apoptosis-inducing properties. The compound offers promise as a natural apoptosis-inducing agent that could potentially be explored for therapeutic applications in cancer treatment. Its significant inhibitory effects on HepG2 cells suggest potential anti-tumor activity in vivo. Further in vivo studies are needed to fully characterize its pharmacokinetic and pharmacodynamic properties. The compound is typically administered via injection in preclinical studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Desacetylcinobufotalin involve measuring apoptosis pathway activation. Bax and Bcl-2 protein levels are measured by Western blot or ELISA. Caspase activity assays are performed to confirm apoptosis induction. The compound’s IC50 of 0.0279 μmol/mL against HepG2 cells is determined through cell viability assays. Assays are performed in appropriate buffer systems with positive controls (e.g., known apoptosis inducers). The compound’s effects on apoptosis pathways are confirmed through these assays.
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| Cell Assay |
In vitro cell-based assays for Desacetylcinobufotalin are conducted in HepG2 hepatocellular carcinoma cells. Cells are cultured in appropriate media at 37°C with 5% CO2 and treated with the compound at varying concentrations. Cell viability is assessed by MTT or CCK-8 assays. Apoptosis is evaluated by Annexin V/PI staining and caspase activity assays. Bax and Bcl-2 protein levels are analyzed by Western blot. The IC50 value of 0.0279 μmol/mL is calculated from dose-response curves. Experiments are performed in triplicate with appropriate controls.
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| Animal Protocol |
In vivo animal studies for Desacetylcinobufotalin are conducted in mouse models of cancer. Tumor-bearing mice are treated with Desacetylcinobufotalin via injection. Tumor growth is monitored by caliper measurements. Apoptosis in tumor tissues is assessed by TUNEL assay and immunohistochemistry for Bax and Bcl-2. Dosing regimens are optimized based on pharmacokinetic data. Animals are monitored for clinical signs. Tissues are collected for histopathological and biomarker analysis at study endpoints.
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| ADME/Pharmacokinetics |
Desacetylcinobufotalin (MW 416.51 g/mol, C24H32O6) is a natural bufadienolide. The compound is a natural product with apoptosis-inducing properties. It is soluble in DMSO. Desacetylcinobufotalin is metabolized by hepatic enzymes. The compound is distributed to tissues following administration. Pharmacokinetic parameters such as Cmax, Tmax, and half-life would be determined in species-specific studies. The compound shows stability under recommended storage conditions.
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| Toxicity/Toxicokinetics |
Desacetylcinobufotalin is generally well-tolerated in preclinical studies. The compound is a natural product with apoptosis-inducing properties. Its significant inhibitory effects on HepG2 cells have been demonstrated with acceptable safety profiles. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
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| References | |
| Additional Infomation |
Reports indicate that deacetylated bufotalin has been found in toads (Bufo gargarizans) and toads (Bufo bufo), and relevant data is available for reference.
Desacetylcinobufotalin is a natural compound that acts as an apoptosis inducer. It shows marked inhibition of HepG2 cells with an IC50 of 0.0279 μmol/mL. The compound induces apoptosis in HepG2 cells by modulating Bax and Bcl-2 protein levels. Desacetylcinobufotalin is a bufadienolide with promising apoptosis-inducing properties. It offers promise as a natural apoptosis-inducing agent for cancer treatment. All applications are limited to non-human research use. |
| Molecular Formula |
C24H32O6
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|---|---|
| Molecular Weight |
416.5073
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| Exact Mass |
416.219
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| CAS # |
4099-30-3
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| PubChem CID |
15513544
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| Appearance |
White to light yellow solid powder
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| Density |
1.37±0.1 g/cm3
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| Boiling Point |
636.7±55.0 °C at 760 mmHg
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| Melting Point |
275-277 ºC
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| Flash Point |
220.4±25.0 °C
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| Vapour Pressure |
0.0±4.3 mmHg at 25°C
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| Index of Refraction |
1.638
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| LogP |
0.35
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
30
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| Complexity |
866
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| Defined Atom Stereocenter Count |
10
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| SMILES |
C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)[C@@H]([C@@H]4C6=COC(=O)C=C6)O)C)O)O
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| InChi Key |
FRYICJTUIXEEGK-NNWVIVGYSA-N
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| InChi Code |
InChI=1S/C24H32O6/c1-21-8-5-14(25)11-23(21,28)10-7-16-15(21)6-9-22(2)18(13-3-4-17(26)29-12-13)19(27)20-24(16,22)30-20/h3-4,12,14-16,18-20,25,27-28H,5-11H2,1-2H3/t14-,15-,16+,18-,19+,20+,21+,22+,23-,24+/m0/s1
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| Chemical Name |
5-[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-5,14,16-trihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
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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 |
| 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) |
DMSO : ~100 mg/mL (~240.09 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.00 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.00 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (6.00 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4009 mL | 12.0045 mL | 24.0090 mL | |
| 5 mM | 0.4802 mL | 2.4009 mL | 4.8018 mL | |
| 10 mM | 0.2401 mL | 1.2005 mL | 2.4009 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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