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| 5mg |
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| Targets |
Hellebrigenol exhibits potent inhibitory effects on Na⁺/K⁺-ATPase. It is a metabolite of bufadienolides with antitumor activity. It shows cytotoxic activity in HepG2 cells with an IC50 of 135.19 nM. Its mechanism involves inhibition of the sodium-potassium pump, leading to cardiotonic effects and cytotoxicity.
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|---|---|
| ln Vitro |
With an IC50 of 56.581 ng/mL, hellebrigenol demonstrates cytotoxicity against HepG2 cells[1].
In vitro, Hellebrigenol shows cytotoxic activity in HepG2 cells with an IC50 of 135.19 nM. It is a metabolite of bufadienolides with antitumor activity. It exhibits potent inhibitory effects on Na⁺/K⁺-ATPase. It is a cardiotonic steroid. |
| ln Vivo |
In vivo, Hellebrigenol has antitumor effects. Its inhibition of Na⁺/K⁺-ATPase suggests potential cardiotonic effects. Animal studies are needed to confirm its in vivo efficacy and safety for cancer therapy.
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| Enzyme Assay |
Cell-free assays for Hellebrigenol: Na⁺/K⁺-ATPase inhibition is measured using ATPase activity assays. The enzyme is incubated with ATP and varying concentrations of the compound (0.1-1000 nM). Inorganic phosphate released from ATP hydrolysis is quantified colorimetrically. IC50 values are calculated. Cytotoxicity is assessed using cell-free systems such as enzyme inhibition assays.
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| Cell Assay |
Cellular assays for Hellebrigenol: HepG2 cells or other cancer cell lines are cultured and treated with Hellebrigenol at concentrations of 0.1-1000 nM for 24-72 hours. Cell viability is measured by MTT or CellTiter-Glo assays. Apoptosis is assessed by Annexin V/PI staining and caspase activity. Na⁺/K⁺-ATPase activity is measured in cell lysates.
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| Animal Protocol |
In vivo animal studies for Hellebrigenol: xenograft mouse models of cancer would be used. Mice are implanted with cancer cells and treated with Hellebrigenol orally or intraperitoneally at doses of 0.1-1 mg/kg. Tumor growth, apoptosis markers, and cardiotoxicity are assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Hellebrigenol: as a cardiotonic steroid (MW 418.52), it may have moderate oral bioavailability. It is likely metabolized in the liver. Storage: powder at -20°C for up to 3 years. Appearance: powder. Soluble in DMSO.
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| Toxicity/Toxicokinetics |
Toxicity of Hellebrigenol: as a cardiotonic steroid, it may have significant cardiotoxicity at high doses due to Na⁺/K⁺-ATPase inhibition. It is for research use only and not approved for clinical use.
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| References | |
| Additional Infomation |
Hellebrigenol has been reported to be present in Duttaphrynus melanostictus and Rhinella marina, and relevant data are available for reference.
Hellebrigenol is a research compound with potential applications in anticancer research. It is a bufadienolide metabolite with Na⁺/K⁺-ATPase inhibitory activity. Its mechanism involves inhibition of the sodium-potassium pump and induction of cytotoxicity. No clinical trials or FDA approvals have been reported. |
| Molecular Formula |
C24H34O6
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|---|---|
| Molecular Weight |
418.52
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| Exact Mass |
418.236
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| CAS # |
508-79-2
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| PubChem CID |
10432170
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| Appearance |
White to off-white solid powder
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| Boiling Point |
635.4±55.0 °C(Predicted)
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| Melting Point |
146-153 °C
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| Source |
Originated from animals: toad
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| LogP |
2.329
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
30
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| Complexity |
806
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| Defined Atom Stereocenter Count |
8
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| SMILES |
C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)CO)O
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| InChi Key |
ABVKNZHLRVHZSO-XHCIOXAKSA-N
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| InChi Code |
InChI=1S/C24H34O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13,16-19,25-26,28-29H,4-12,14H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1
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| Chemical Name |
5-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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: ~50 mg/mL (~119.5 mM; with ultrasonication and warming by heating to 60°C)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.99 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (12.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 1.25 mg/mL (2.99 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 DMSO stock solution (12.5 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3894 mL | 11.9469 mL | 23.8937 mL | |
| 5 mM | 0.4779 mL | 2.3894 mL | 4.7787 mL | |
| 10 mM | 0.2389 mL | 1.1947 mL | 2.3894 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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