| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
17α-Hydroxydigitoxigenin targets Na⁺/K⁺-ATPase, the sodium-potassium pump, functioning as an inhibitor. Na⁺/K⁺-ATPase is a membrane-bound enzyme that maintains the electrochemical gradient across cell membranes by pumping sodium and potassium ions. Inhibition of this enzyme leads to increased intracellular sodium and calcium concentrations, which can have positive inotropic effects on the heart. This mechanism is characteristic of cardiac glycosides.
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| ln Vitro |
In vitro, 17α-Hydroxydigitoxigenin inhibits Na⁺/K⁺-ATPase activity. The compound's activity is assessed in enzyme assays measuring the hydrolysis of ATP or the transport of ions. Its inhibitory potency can be determined by measuring the concentration required to inhibit enzyme activity. The compound's cardiac and neuroprotective effects are attributed to its Na⁺/K⁺-ATPase inhibitory activity. However, detailed in vitro activity data are not extensively documented.
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| ln Vivo |
In vivo, 17α-Hydroxydigitoxigenin has been linked to cardiac and neuroprotective effects. As a Na⁺/K⁺-ATPase inhibitor, it may exert positive inotropic effects on the heart, similar to other cardiac glycosides. Its neuroprotective effects suggest potential applications in neurodegenerative diseases. However, detailed in vivo efficacy and safety data are not extensively documented in the publicly available literature. The compound is primarily used as a research tool.
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| Enzyme Assay |
In vitro enzyme assays for 17α-Hydroxydigitoxigenin typically involve measuring its inhibition of Na⁺/K⁺-ATPase activity. The enzyme is incubated with the compound and a substrate (ATP), and the rate of ATP hydrolysis is measured. Inhibition is expressed as IC₅₀ values. The assay is conducted in buffered solutions at physiological pH with appropriate concentrations of sodium, potassium, and magnesium ions. Standard protocols for Na⁺/K⁺-ATPase assays are employed.
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| Cell Assay |
17α-Hydroxydigitoxigenin may be used in cell-based assays to evaluate its effects on Na⁺/K⁺-ATPase activity and cellular ion homeostasis. Cells are treated with the compound, and intracellular sodium and calcium concentrations are measured using fluorescent indicators. The compound's effects on cell viability and function can also be assessed. Standard cell culture conditions (37°C, 5% CO₂) with appropriate media are employed.
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| Animal Protocol |
In vivo animal studies with 17α-Hydroxydigitoxigenin would be required to evaluate its cardiac and neuroprotective effects. Potential study designs include models of heart failure for cardiac effects or models of neurodegenerative diseases for neuroprotective effects. Endpoints would include cardiac function measurements, assessment of neuronal survival, and pharmacokinetic profiling. However, detailed published in vivo protocols are not currently available.
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| ADME/Pharmacokinetics |
17α-Hydroxydigitoxigenin has a molecular weight of 390.51 g/mol and a molecular formula of C₂₃H₃₄O₅. It is an active small molecule cardenolide that inhibits Na⁺/K⁺-ATPase activity. The compound has been linked to cardiac and neuroprotective effects. It is typically stored at -20°C and is intended for research use only.
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| Toxicity/Toxicokinetics |
17α-Hydroxydigitoxigenin is intended for research use only and is not approved for human therapeutic applications. As a Na⁺/K⁺-ATPase inhibitor, it has the potential for cardiotoxicity and requires careful handling. Comprehensive toxicological data are not extensively documented in the publicly accessible literature. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| References |
[1]. SAITO Y, et al. Preparation of 3-Deoxy and 17-Hydroxy Cardenolide. Chem Pharm Bull (Tokyo). 1970, 18(3): 629-631.
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| Additional Infomation |
17α-Hydroxydigitoxigenin (CAS#: 26629-41-4) has a molecular formula of C₂₃H₃₄O₅ and a molecular weight of 390.51 g/mol. It is an active small molecule that inhibits Na⁺/K⁺-ATPase activity and has been linked to cardiac and neuroprotective effects. This compound is not a drug and has not undergone clinical trials.
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| Molecular Formula |
C23H34O5
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|---|---|
| Molecular Weight |
390.51
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| Exact Mass |
390.24
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| CAS # |
26629-41-4
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| PubChem CID |
70075738
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
588.2±50.0 °C at 760 mmHg
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| Flash Point |
202.5±23.6 °C
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| Vapour Pressure |
0.0±3.7 mmHg at 25°C
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| Index of Refraction |
1.613
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| LogP |
1.94
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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 |
1
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| Heavy Atom Count |
28
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| Complexity |
733
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| Defined Atom Stereocenter Count |
8
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| SMILES |
OC12CCC(C3=CC(=O)OC3)(C1(C)CCC1C3(C)CCC(CC3CCC21)O)O
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| InChi Key |
PBAPWFMQSGITBY-IKVCRZIASA-N
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| InChi Code |
InChI=1S/C23H34O5/c1-20-7-5-16(24)11-14(20)3-4-18-17(20)6-8-21(2)22(26,9-10-23(18,21)27)15-12-19(25)28-13-15/h12,14,16-18,24,26-27H,3-11,13H2,1-2H3/t14-,16+,17+,18-,20+,21-,22+,23+/m1/s1
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| Chemical Name |
3-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-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) |
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 | 2.5608 mL | 12.8038 mL | 25.6075 mL | |
| 5 mM | 0.5122 mL | 2.5608 mL | 5.1215 mL | |
| 10 mM | 0.2561 mL | 1.2804 mL | 2.5608 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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