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| Targets |
Na⁺/K⁺-ATPase. Adynerin is a cardiac glycoside that inhibits Na⁺/K⁺-ATPase, the membrane-bound enzyme responsible for maintaining electrochemical gradients across cell membranes. By inhibiting this enzyme, adynerin increases intracellular sodium and calcium concentrations, leading to increased cardiac contractility. The compound is structurally related to other cardiac glycosides such as oleandrin and digitoxin. Its mechanism of action is typical of cardenolide glycosides, involving binding to the extracellular domain of the Na⁺/K⁺-ATPase α-subunit.
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| ln Vitro |
Adynerin exhibits cardiotonic activity characteristic of cardiac glycosides. As a Na⁺/K⁺-ATPase inhibitor, it increases cardiac contractility by elevating intracellular calcium levels. The compound's in vitro activities include inhibition of Na⁺/K⁺-ATPase activity, which can be measured using enzyme assays. Its specific in vitro activities depend on the concentrations tested and the assay systems used. Further studies are needed to fully characterize its activity profile, including potential anticancer or other biological activities.
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| ln Vivo |
In vivo studies of adynerin are limited. As a cardiac glycoside from Nerium oleander, it may contribute to the cardiotonic effects of oleander extracts. Cardiac glycosides are known to have potent cardiotonic effects in vivo due to their inhibition of Na⁺/K⁺-ATPase. However, this also contributes to their narrow therapeutic index and potential cardiotoxicity. The compound may also have cytotoxic effects on cancer cells. Further in vivo studies are needed to characterize its specific pharmacokinetic and pharmacodynamic properties.
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| Enzyme Assay |
Non-cell-based assays for adynerin include Na⁺/K⁺-ATPase inhibition assays using purified enzyme preparations. The enzyme is incubated with ATP and substrate in the presence of various concentrations of adynerin, and enzyme activity is measured by detecting released phosphate or using coupled enzyme assays. The IC₅₀ value is calculated from the dose-response curve. Standard analytical methods including HPLC, NMR, and mass spectrometry are used for compound characterization and purity assessment.
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| Cell Assay |
Cell-based assays for adynerin use various cell lines to assess its biological activities. Na⁺/K⁺-ATPase inhibition can be assessed in cultured cells by measuring intracellular ion concentrations using fluorescent probes. Cardiotonic effects can be studied in cardiomyocyte cell lines by measuring contractility or calcium signaling. Cytotoxicity and anticancer activity can be assessed in cancer cell lines using MTT or similar assays. Apoptosis is evaluated by flow cytometry using Annexin V/PI staining.
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| Animal Protocol |
In vivo studies of adynerin are limited. Potential animal models include: models of heart failure for cardiotonic evaluation; and tumor xenograft models for anticancer evaluation. Standard protocols for these models involve administration of the compound followed by measurement of relevant endpoints including cardiac function, tumor volume, and histopathological analysis. Due to the narrow therapeutic index of cardiac glycosides, careful dose optimization is required.
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| ADME/Pharmacokinetics |
Adynerin has a molecular formula of C₃₀H₄₄O₇ and a molecular weight of 516.68 g/mol. The CAS number is 35109-93-4. The compound is a natural steroid found in the herbs of Nerium oleander. It is a cardenolide glycoside with a steroid nucleus, lactone ring, and sugar moieties. Purity is typically ≥98%. It should be stored desiccated at -20°C. It is intended for research use only.
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| Toxicity/Toxicokinetics |
Adynerin, as a cardiac glycoside, has a narrow therapeutic index. Inhibition of Na⁺/K⁺-ATPase can lead to cardiotoxicity at high doses, including arrhythmias, increased contractility, and potentially fatal cardiac arrest. The compound is structurally related to oleandrin and digitoxin, which are known for their toxicity. Standard laboratory safety practices should be followed when handling this compound, including the use of personal protective equipment. It is intended for research use only.
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| Additional Infomation |
Adinaline is a cardiac glycoside. It has been reported that adinaline has been found in both oleander (Daphnis nerii) and oleander (Nerium oleander), and relevant data are available for reference.
Adynerin is a naturally occurring cardiac glycoside, specifically a cardenolide glycoside, primarily extracted from the plant Nerium oleander (oleander). Oleander has been known for its cardiotonic and toxic properties. Adynerin is structurally related to other cardiac glycosides such as oleandrin and digitoxin, featuring a steroid nucleus with a lactone ring and specific sugar moieties. The compound inhibits Na⁺/K⁺-ATPase, leading to increased cardiac contractility. It is used as a research tool for studying cardiac glycoside pharmacology and cardiotonic activity. It is for research use only. |
| Molecular Formula |
C30H44O7
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|---|---|
| Molecular Weight |
516.67
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| Exact Mass |
516.308
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| CAS # |
35109-93-4
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| PubChem CID |
441840
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
665.1±55.0 °C at 760 mmHg
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| Flash Point |
214.8±25.0 °C
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| Vapour Pressure |
0.0±4.6 mmHg at 25°C
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| Index of Refraction |
1.578
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| LogP |
2.43
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
37
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| Complexity |
996
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| Defined Atom Stereocenter Count |
12
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| SMILES |
C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@]45[C@@H]3CC[C@]6([C@]4(O5)CC[C@@H]6C7=CC(=O)OC7)C)C)OC)O
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| InChi Key |
BYZQVAOKDQTHHP-QFUJVLJYSA-N
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| InChi Code |
InChI=1S/C30H44O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,25+,26+,27+,28-,29+,30-/m1/s1
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| Chemical Name |
3-[(1S,3R,6R,7R,10R,11S,14S,16R)-14-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-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 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) |
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 | 1.9355 mL | 9.6774 mL | 19.3547 mL | |
| 5 mM | 0.3871 mL | 1.9355 mL | 3.8709 mL | |
| 10 mM | 0.1935 mL | 0.9677 mL | 1.9355 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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