| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Digoxin-d3 targets the same biological target as digoxin, which is the Na+/K+-ATPase (sodium-potassium adenosine triphosphatase) in cardiac tissues. Binding occurs in an ATP- and Mg2+-dependent manner. Inhibition of this ion pump results in loss of the transmembrane sodium gradient, which decreases activity of the Na+/Ca2+ exchanger, increasing intracellular Ca2+ levels, positive inotropy, and cardiac contractile force.
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|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
As a deuterium-labeled internal standard, Digoxin-d3 is not tested for in vitro pharmacological activity. Its non-labeled parent compound digoxin has well-established in vitro activity: inhibition of Na+/K+-ATPase in cardiac tissues, increased activity of mitochondrial ATPase and actomyosin ATPase in rat hearts, and increased myofibrillar contractile strength. Digoxin-d3 is used to quantify digoxin in biological samples. |
| ln Vivo |
As an internal standard, Digoxin-d3 is not tested for in vivo activity separately from digoxin. Digoxin itself has potent in vivo cardiac effects: it slows heart rate, increases cardiac output, lowers pulmonary artery pressure, pulmonary capillary wedge pressure, and systemic vascular resistance. In canine models of congestive heart failure, digoxin decreases right atrial pressure and increases cardiac output.
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| Enzyme Assay |
Digoxin-d3 is employed as an internal standard in bioanalytical methods. A typical procedure involves spiking biological samples (plasma, urine, or tissue homogenates) with a known concentration of Digoxin-d3. Samples undergo protein precipitation or solid-phase extraction, followed by LC-MS/MS analysis. The signal ratio of digoxin to Digoxin-d3 is used to quantify digoxin concentrations, correcting for matrix effects and extraction recovery.
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| Cell Assay |
Digoxin-d3 is not used in independent cell-based assays. It is added as an internal standard to cell lysate or culture medium samples during bioanalysis. For studies involving digoxin, cells are treated with digoxin at various concentrations, then lysed. Digoxin-d3 is added to each sample at a fixed concentration (e.g., 5-50 ng/mL) before extraction, and the digoxin/digoxin-d3 peak area ratio is used to calculate digoxin concentration by LC-MS/MS.
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| Animal Protocol |
For in vivo pharmacokinetic studies, animals are administered unlabeled digoxin. Blood samples are collected at predetermined time points (0, 15, 30, 60, 120, 240, 480 min, etc.). A fixed amount of Digoxin-d3 (e.g., 10-100 ng) is added to each plasma sample as an internal standard. Following protein precipitation and solid-phase extraction, the samples are analyzed by LC-MS/MS to determine digoxin concentrations, enabling calculation of PK parameters.
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| ADME/Pharmacokinetics |
Digoxin-d3 is used as an analytical standard and does not have its own pharmacokinetic profile separate from digoxin. Digoxin pharmacokinetics: following oral administration, peak serum concentrations occur at 30-90 minutes. Distribution is extensive (Vd ≈ 6-10 L/kg), plasma protein binding is approximately 25%, and elimination is primarily renal (50-70% unchanged). Half-life is approximately 30-40 hours in patients with normal renal function. Deuterium substitution may affect PK properties.
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| Toxicity/Toxicokinetics |
Digoxin-d3 as an analytical standard is handled at trace concentrations and does not pose significant toxicological risk beyond the hazards of its solvent formulation. Non-labeled digoxin has a narrow therapeutic index and can cause cardiac toxicity at supratherapeutic levels (arrhythmias, nausea, vomiting, visual disturbances). Standard safety precautions for handling cardiac glycosides apply. Not intended for human consumption.
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| References | |
| Additional Infomation |
(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopy ranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide-21,21,22-d3 It is a cardiac glycoside.
Digoxin-d3 is a deuterium-labeled internal standard, not a therapeutic drug. It is intended exclusively for research use as an internal standard for the quantification of digoxin by GC- or LC-MS. The compound is not approved for human use and has no clinical trial history as an independent agent. It is available from multiple commercial sources for pharmaceutical and biomedical research applications. Deuteration may affect pharmacokinetic and metabolic properties compared to unlabeled digoxin. |
| Molecular Formula |
C41H61D3O14
|
|---|---|
| Molecular Weight |
783.96
|
| Exact Mass |
783.448
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| CAS # |
127299-95-0
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| PubChem CID |
45039017
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| Appearance |
White to off-white solid powder
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| Melting Point |
230-265ºC (dec)
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| Index of Refraction |
1.602
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| LogP |
2.218
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| Hydrogen Bond Donor Count |
6
|
| Hydrogen Bond Acceptor Count |
14
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| Rotatable Bond Count |
7
|
| Heavy Atom Count |
55
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| Complexity |
1450
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(OC1=O)([2H])[2H])C2CCC3(C2(C(CC4C3CCC5C4(CCC(C5)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)O)O)O)C)O)C)O
|
| InChi Key |
LTMHDMANZUZIPE-YTQDZEBXSA-N
|
| InChi Code |
InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/i12D,18D2
|
| Chemical Name |
3,5,5-trideuterio-4-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]furan-2-one
|
| HS Tariff Code |
2934.99.9001
|
| 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 | 1.2756 mL | 6.3779 mL | 12.7558 mL | |
| 5 mM | 0.2551 mL | 1.2756 mL | 2.5512 mL | |
| 10 mM | 0.1276 mL | 0.6378 mL | 1.2756 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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