| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Sildenafil-d3 retains the same primary target as its parent compound, sildenafil, which is phosphodiesterase type 5 (PDE5). As a PDE5 inhibitor, it functions by preventing the degradation of cyclic GMP (cGMP), leading to increased blood flow. This isotopic labeling does not alter the pharmacological target of the molecule.
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| ln Vitro |
Sildenafil itself is a potent PDE5 inhibitor with an IC50 of 5.22 nM. As a direct analog, Sildenafil-d3 is expected to have a very similar, though potentially slightly different, in vitro potency due to the kinetic isotope effect. In assays using isolated rabbit platelets or human corpus cavernosum, sildenafil has IC50 values of 3.6 and 3 nM, respectively.
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| ln Vivo |
The in vivo activity of Sildenafil-d3 is not typically studied directly, as it is used primarily as a research tool. However, the parent compound is a well-known vasodilator used to treat erectile dysfunction and pulmonary arterial hypertension. It is expected that Sildenafil-d3 would produce similar hemodynamic effects in vivo, but its use for this purpose is generally not required.
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| Enzyme Assay |
Sildenafil-d3 is not typically used in non-cellular enzyme assays as the test article. Instead, it is used as a stable isotope-labeled internal standard in the assay itself. A protocol would involve spiking a known amount of Sildenafil-d3 into a plasma or tissue sample before processing. It co-elutes with unlabeled sildenafil but is distinguished by mass spectrometry, allowing for precise quantification.
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| Cell Assay |
Standard cell-based assays are not performed with Sildenafil-d3 as a treatment to study its biological effect. Instead, it is used in analytical cellular assays. In such an assay, cells would be treated with unlabeled sildenafil. After cell lysis, a fixed amount of Sildenafil-d3 is added to the sample as an internal standard to correct for matrix effects and extraction efficiency during LC-MS/MS analysis.
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| Animal Protocol |
Sildenafil-d3 is primarily used in animal pharmacokinetic studies. An in vivo protocol involves administering unlabeled sildenafil to a mouse or rat. At various time points post-dose, blood samples are collected. A known, consistent amount of Sildenafil-d3 is then spiked into each plasma sample. This spiked sample is processed for extraction, and the concentration of unlabeled sildenafil is back-calculated by LC-MS/MS using the known concentration of the deuterated internal standard.
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| ADME/Pharmacokinetics |
As an internal standard, the primary PK property of Sildenafil-d3 is its "mimicry" of the parent drug. It is expected to have nearly identical extraction recovery, ionization efficiency, and chromatographic retention time as unlabeled sildenafil, making it an ideal internal standard. Its higher mass (by 3 Da) due to deuterium is what allows the mass spectrometer to distinguish it from the unlabeled drug.
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| Toxicity/Toxicokinetics |
No specific toxicology data for Sildenafil-d3 is provided, as it is used in minute quantities (sub-nanogram to microgram levels) as an internal standard, not as a therapeutic agent. The safety profile of the parent molecule, sildenafil, is well-known and clinically established. The small amount of the deuterated analog used in assays does not pose a significant risk beyond normal laboratory chemical handling.
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| References |
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| Additional Infomation |
Sildenafil-d3 is a highly valuable analytical tool in bioanalysis. The use of stable isotope-labeled internal standards like Sildenafil-d3 is the gold standard for quantitative mass spectrometry in drug development. It allows for highly accurate and precise measurement of drug concentrations in complex biological matrices like plasma, urine, and tissues, which is essential for calculating PK parameters like half-life and bioavailability.
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| Molecular Formula |
C22H27D3N6O4S
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|---|---|
| Molecular Weight |
477.59
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| Exact Mass |
477.223
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| CAS # |
1126745-90-1
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| Related CAS # |
Sildenafil;139755-83-2
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| PubChem CID |
135949537
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
672.4±65.0 °C at 760 mmHg
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| Flash Point |
360.5±34.3 °C
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| Vapour Pressure |
0.0±2.1 mmHg at 25°C
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| Index of Refraction |
1.665
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| LogP |
2.27
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
33
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| Complexity |
838
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C3=NC4=C(C(=O)N3)N(N=C4CCC)C
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| InChi Key |
BNRNXUUZRGQAQC-HPRDVNIFSA-N
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| InChi Code |
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)/i3D3
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| Chemical Name |
5-[2-ethoxy-5-[4-(trideuteriomethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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: 25 mg/mL (52.35 mM)
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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 | 2.0938 mL | 10.4692 mL | 20.9385 mL | |
| 5 mM | 0.4188 mL | 2.0938 mL | 4.1877 mL | |
| 10 mM | 0.2094 mL | 1.0469 mL | 2.0938 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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