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| 5mg |
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| Targets |
19-Hydroxybufalin targets steroid receptor coactivator 3 (SRC-3) with potent inhibitory activity. The compound inhibits epithelial-mesenchymal transition and attenuates the migration and invasion of PC3 prostate cancer cells. It also inhibits non-small cell lung cancer. 19-Hydroxybufalin has anticancer, anti-inflammatory, and antinociceptive activity. As a cardioactive steroid, it likely interacts with Na+/K+-ATPase and other cardiac targets. Further studies are needed to fully characterize its molecular targets.
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| ln Vitro |
In vitro, 19-Hydroxybufalin inhibits epithelial-mesenchymal transition and attenuates the migration and invasion of PC3 prostate cancer cells. The compound is a potent inhibitor of SRC-3. It inhibits non-small cell lung cancer. 19-Hydroxybufalin has anticancer, anti-inflammatory, and antinociceptive activity. Its effects on cancer cell migration and invasion have been demonstrated in various cell-based assays. The compound’s anti-tumor properties have been characterized in vitro.
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| ln Vivo |
In vivo, 19-Hydroxybufalin has been studied for its anti-tumor and anti-inflammatory effects. The compound inhibits non-small cell lung cancer. As a cardioactive steroid isolated from toad venom, it has diverse biological activities. 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 19-Hydroxybufalin involve measuring SRC-3 inhibition. SRC-3 activity is assessed by measuring coactivator function in transcription assays. Epithelial-mesenchymal transition markers such as E-cadherin and vimentin are measured by Western blot. Cell migration and invasion are assessed using Transwell or wound healing assays. Assays are performed in appropriate buffer systems with positive controls (e.g., known SRC-3 inhibitors). IC50 values are calculated from dose-response curves.
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| Cell Assay |
In vitro cell-based assays for 19-Hydroxybufalin are conducted in PC3 prostate cancer cells and non-small cell lung cancer 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. Migration and invasion are assessed using Transwell or wound healing assays. Epithelial-mesenchymal transition markers are analyzed by Western blot or immunofluorescence. Apoptosis is evaluated by Annexin V/PI staining. Experiments are performed in triplicate with appropriate controls.
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| Animal Protocol |
In vivo animal studies for 19-Hydroxybufalin are conducted in mouse models of cancer. Tumor-bearing mice are treated with 19-Hydroxybufalin via injection. Tumor growth is monitored by caliper measurements. Metastasis is assessed by examining distant organs. For anti-inflammatory studies, animal models of inflammation may be used. 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 |
19-Hydroxybufalin (MW 402.53 g/mol, C24H34O4) is a bufadienolide with moderate lipophilicity. The compound is a natural product isolated from toad venom. It is soluble in DMSO and other organic solvents. 19-Hydroxybufalin 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 |
19-Hydroxybufalin is generally well-tolerated in preclinical studies. The compound is a natural product derived from toad venom. Its anticancer, anti-inflammatory, and antinociceptive effects 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 |
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| Additional Infomation |
Reports indicate that 19-hydroxybufotoxin has been found in the black-spotted toad (Duttaphrynus melanostictus), and relevant data is available for reference.
19-Hydroxybufalin is a bufadienolide and the 18-hydroxylated form of bufalin, a potent inhibitor of steroid receptor coactivator 3 (SRC-3) with anticancer, anti-inflammatory, and antinociceptive activity. The compound inhibits epithelial-mesenchymal transition and attenuates the migration and invasion of PC3 cells. It inhibits non-small cell lung cancer. 19-Hydroxybufalin is a cardioactive steroid isolated from toad venom. All applications are limited to non-human research use. |
| Molecular Formula |
C24H34O5
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|---|---|
| Molecular Weight |
402.5238
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| Exact Mass |
402.241
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| CAS # |
39844-86-5
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| PubChem CID |
101375811
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| Appearance |
White to off-white solid powder
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| Boiling Point |
601.7±55.0 °C
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| LogP |
3.214
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
29
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| Complexity |
758
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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@H]5[C@@]3(CC[C@@H](C5)O)CO
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| InChi Key |
AXTYMYOHGWVSQN-KLAFWMLLSA-N
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| InChi Code |
InChI=1S/C24H34O5/c1-22-9-7-19-20(4-3-16-12-17(26)6-10-23(16,19)14-25)24(22,28)11-8-18(22)15-2-5-21(27)29-13-15/h2,5,13,16-20,25-26,28H,3-4,6-12,14H2,1H3/t16-,17+,18-,19+,20-,22-,23-,24+/m1/s1
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| Chemical Name |
5-[(3S,5R,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[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 : ~100 mg/mL (~248.43 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.21 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (6.21 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 (6.21 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 | 2.4843 mL | 12.4217 mL | 24.8435 mL | |
| 5 mM | 0.4969 mL | 2.4843 mL | 4.9687 mL | |
| 10 mM | 0.2484 mL | 1.2422 mL | 2.4843 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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