| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
As an analytical standard, Ethynyl Estradiol-d4 targets the Estrogen Receptors (ERalpha and ERbeta) in the same manner as native ethinyl estradiol, but it is not used for pharmacological purposes. Its function is as a tracer in analytical chemistry to correct for sample preparation losses and ionization variations.
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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].
Ethynyl Estradiol-d4 is chemically inert and does not exhibit biological activity in vitro. It is not used in cell-free enzyme or receptor binding assays. Its application is strictly in analytical method development and validation as an internal standard, not as an active biological effector. |
| ln Vivo |
Ethynyl Estradiol-d4 is not used in cell-based activity assays. Its application is strictly in the analytical phase of research. It is added to cell culture media or lysates at a known concentration to serve as an internal standard for sample preparation and data normalization when quantifying ethinyl estradiol metabolism by LC-MS.
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| Enzyme Assay |
Ethynyl Estradiol-d4 is not used in cell-free enzyme or receptor binding assays. Its application is in analytical chemistry. The typical protocol for its use as an internal standard involves spiking a known amount of Ethynyl Estradiol-d4 into biological samples (e.g., plasma, urine) before sample extraction and purification. The ratio of the analyte to the internal standard is then used for LC-MS/MS quantification.
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| Cell Assay |
Ethynyl Estradiol-d4 is not used in pharmacological cell-based assays. Instead, it is a critical component of analytical protocols for measuring ethinyl estradiol levels. It is added to biological samples (from in vivo or in vitro studies) before processing. The concentration of ethinyl estradiol is determined by comparing its mass spectral signal to that of the known amount of Ethynyl Estradiol-d4 internal standard.
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| Animal Protocol |
Ethynyl Estradiol-d4 is used as a standard in animal and human clinical studies. A known amount of the compound is spiked into collected plasma or urine samples before processing. It is used solely for analytical correction to accurately measure the concentration of the parent drug, ethinyl estradiol, in pharmacokinetic (PK), bioavailability, and bioequivalence studies.
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| ADME/Pharmacokinetics |
As a stable isotope-labeled standard, the pharmacokinetics of Ethynyl Estradiol-d4 are identical to the native analyte, ethinyl estradiol. It is absorbed, distributed, metabolized, and excreted (ADME) via the same pathways, making it a perfect tracer for studying the disposition of this oral contraceptive component.
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| Toxicity/Toxicokinetics |
Ethynyl Estradiol-d4 has no pharmacological toxicity. Safety concerns are limited to the hazards associated with handling solvents (e.g., methanol) in which the compound is often supplied and standard precautions for handling laboratory chemicals.
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| References | |
| Additional Infomation |
Ethynyl Estradiol-d4 is a critical analytical standard for the accurate quantification of ethinyl estradiol, a key component of hormonal contraceptives and hormone replacement therapies. Its use in regulated bioanalysis ensures the reliability of data supporting the safety and efficacy of drug products containing this synthetic estrogen.
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| Molecular Formula |
C20H20D4O2
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|---|---|
| Molecular Weight |
300.43
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| Exact Mass |
300.202
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| CAS # |
350820-06-3
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| Related CAS # |
Ethinylestradiol;57-63-6
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| PubChem CID |
45039155
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
457.2±45.0 °C at 760 mmHg
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| Melting Point |
182-184ºC
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| Flash Point |
211.2±23.3 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.624
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| LogP |
4.52
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
22
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| Complexity |
505
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| Defined Atom Stereocenter Count |
5
|
| SMILES |
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC([C@]4(C#C)O)([2H])[2H])C)C(=C1O)[2H]
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| InChi Key |
BFPYWIDHMRZLRN-LJEVPYBISA-N
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| InChi Code |
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1/i5D,11D2,12D
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| Chemical Name |
(8R,9S,13S,14S,17R)-2,4,16,16-tetradeuterio-17-ethynyl-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
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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 | 3.3286 mL | 16.6428 mL | 33.2856 mL | |
| 5 mM | 0.6657 mL | 3.3286 mL | 6.6571 mL | |
| 10 mM | 0.3329 mL | 1.6643 mL | 3.3286 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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