| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Target: Estrogen Receptor (ERalpha and ERbeta). Estradiol binds to estrogen receptors ERalpha and ERbeta with high affinity (Kd ~0.1 nM). It regulates gene expression involved in reproductive development, bone density, cardiovascular function, and neuroprotection. Estradiol upregulates IL-6 expression through the ERbeta pathway. The deuterated form is an analytical standard with no pharmacological activity.
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| ln Vitro |
Stable heavy isotopes of hydrogen, carbon and other elements have been incorporated into drug molecules, primarily as quantitative tracers during drug development. Deuteration is of concern because of its possible impact on the pharmacokinetics and metabolic characteristics of drugs [1].
In vitro, the labeled standard has no direct biological activity. The unlabeled estradiol (0.1-10 nM) binds to estrogen receptors and activates transcription of estrogen-responsive genes (e.g., progesterone receptor, pS2). It promotes proliferation of estrogen-dependent breast cancer cell lines (MCF-7) and upregulates IL-6 expression via the ERbeta pathway. |
| ln Vivo |
In vivo, the unlabeled estradiol is the primary female sex hormone, essential for reproductive development, menstrual cycle regulation, and maintenance of bone density. It has neuroprotective, cardioprotective, and anti-inflammatory effects. The deuterated standard is not administered in vivo for efficacy studies but is used to quantify endogenous or exogenous estrogen levels in clinical and preclinical research.
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| Enzyme Assay |
For cell-free assays (LC-MS/MS): plasma, serum, urine, or tissue homogenates are spiked with Estradiol-d5 internal standard. Samples undergo liquid-liquid extraction (e.g., with methyl tert-butyl ether) or solid-phase extraction (SPE), followed by derivatization (e.g., with dansyl chloride or pentafluorobenzyl bromide) to improve ionization efficiency. Analysis is performed by LC-MS/MS in positive or negative ion mode. Quantitation of estradiol and its metabolites is based on the analyte/internal standard peak area ratio using isotope dilution mass spectrometry.
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| Cell Assay |
For cell assays: estrogen-responsive cell lines (e.g., MCF-7 breast cancer cells) are cultured in estrogen-depleted medium and treated with estradiol (0.01-10 nM) for 24-72 h. Cell proliferation is measured by MTT assay or BrdU incorporation. Gene expression (e.g., PR, pS2, GREB1) is quantified by qPCR. The deuterated standard is not used in cell-based assays for efficacy; it is added after cell lysis for LC-MS quantification of endogenous estrogen levels or to measure uptake and metabolism of estradiol in the cells.
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| Animal Protocol |
For animal studies (PK/ADME studies): ovariectomized female rats or mice (to eliminate endogenous estrogen production) are administered estradiol or estradiol-containing formulations (e.g., oral gavage, subcutaneous injection, IV). Serial blood samples are collected, and plasma is processed with Estradiol-d5 internal standard for LC-MS/MS analysis to determine PK parameters (Cmax, Tmax, t1/2, AUC). Tissue distribution studies are performed to quantify estradiol and its metabolites in liver, uterus, brain, and adipose tissue. The labeled standard is also used for bioequivalence studies of estradiol-containing hormone replacement therapy (HRT) formulations.
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| ADME/Pharmacokinetics |
PK properties of estradiol: after oral administration, it undergoes extensive first-pass metabolism in the liver, resulting in low oral bioavailability (~5%). Sublingual, transdermal, or injectable routes provide higher bioavailability. Peak plasma concentration (Tmax) occurs 1-4 h post-oral dose. Estradiol is highly bound to sex hormone-binding globulin (SHBG) and albumin (>98%). It is metabolized primarily to estrone and estriol by CYP3A4 and CYP1A2, and conjugated via glucuronidation and sulfation. Terminal half-life is approximately 12-20 h. The deuterated standard co-elutes with unlabeled estradiol in LC-MS, ensuring accurate PK parameter determination.
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| Toxicity/Toxicokinetics |
No toxicity data are reported for the deuterated standard. Estradiol has a well-characterized safety profile: common adverse effects include nausea, breast tenderness, headache, and fluid retention. Long-term use is associated with increased risk of endometrial cancer, breast cancer (with certain formulations), thromboembolism, and stroke. The labeled compound is for research use only and not intended for human administration.
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| References |
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| Additional Infomation |
Estradiol-d5 is a research standard and is not an active drug substance for clinical use (though unlabeled estradiol is a drug). It is used for analytical method development, method validation (AMV), quality control (QC), and abbreviated new drug application (ANDA) submissions for estradiol-containing pharmaceutical products. Estradiol is FDA-approved for menopausal symptoms (hot flashes, vaginal atrophy), osteoporosis prevention, hypogonadism, and as part of hormone replacement therapy (HRT). It is also used in oral contraceptives. The labeled standard is essential for therapeutic drug monitoring and clinical PK studies.
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| Molecular Formula |
C18H24O2
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|---|---|
| Molecular Weight |
272.38196
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| Exact Mass |
277.209
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| CAS # |
221093-45-4
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| Related CAS # |
Estradiol;50-28-2;Estradiol-d4;66789-03-5;rel-Estradiol-13C6
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| PubChem CID |
11616093
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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 |
445.9±45.0 °C at 760 mmHg
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| Melting Point |
178-179ºC(lit.)
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| Flash Point |
209.6±23.3 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.599
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| LogP |
4.13
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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 |
0
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| Heavy Atom Count |
20
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| Complexity |
382
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| Defined Atom Stereocenter Count |
5
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| SMILES |
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC([C@]4([2H])O)([2H])[2H])C)C(=C1O)[2H]
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| InChi Key |
VOXZDWNPVJITMN-MOKSCAJFSA-N
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| InChi Code |
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,7D2,10D,17D
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| Chemical Name |
(8R,9S,13S,14S,17S)-2,4,16,16,17-pentadeuterio-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 | 3.6713 mL | 18.3567 mL | 36.7134 mL | |
| 5 mM | 0.7343 mL | 3.6713 mL | 7.3427 mL | |
| 10 mM | 0.3671 mL | 1.8357 mL | 3.6713 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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