| Size | Price | Stock | Qty |
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| 5mg |
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| Other Sizes |
| Targets |
Estriol-d3 targets the same receptors as its non-deuterated parent compound, Estriol. Estriol is an antagonist of the G-protein coupled estrogen receptor (GPER) in estrogen receptor-negative breast cancer cells. It also interacts with classical estrogen receptors (ERα and ERβ), though with lower affinity compared to estradiol. As an isotope-labeled internal standard, Estriol-d3 does not exert pharmacological effects itself but is used to accurately quantify endogenous estriol levels in various biological matrices. The compound is essential for studying estrogen metabolism, hormone replacement therapy pharmacokinetics, and reproductive endocrinology.
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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 deuterated internal standard, Estriol-d3 does not have intrinsic in vitro biological activity that is separately characterized from its non-deuterated parent compound. Estriol, the non-labeled form, is an antagonist of the G-protein coupled estrogen receptor (GPER) in estrogen receptor-negative breast cancer cells. In ER-positive breast cancer cells, estriol can exhibit both estrogenic and anti-estrogenic effects depending on the cellular context and concentration. Its activity is typically assessed in cell-based proliferation assays using ER-positive and ER-negative breast cancer cell lines. The deuterated form is used as an internal standard in these studies to correct for analytical variability in LC-MS/MS quantification. |
| ln Vivo |
Estriol-d3 is not used for in vivo pharmacological activity assessment as a standalone compound. Its primary application is as an internal standard for the quantification of endogenous estriol in biological samples from in vivo studies. Estriol, the non-deuterated form, is a naturally occurring estrogen that has been used in hormone replacement therapy. It exhibits weak estrogenic activity compared to estradiol and is the predominant estrogen during pregnancy. In vivo, estriol is involved in various physiological processes including reproductive health, bone metabolism, and cardiovascular function. The deuterated internal standard enables accurate measurement of estriol levels in pharmacokinetic and pharmacodynamic studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for estriol-d3 typically involve its use as an internal standard in competitive binding or displacement assays rather than as a test compound itself. The non-deuterated estriol can be assessed for binding affinity to estrogen receptors (ERα, ERβ) and G-protein coupled estrogen receptor (GPER) using radioligand binding assays with [³H]-estradiol or [³H]-estriol as tracers. Assays are conducted in buffered solutions at physiological pH with appropriate receptor preparations. Binding affinity is expressed as IC₅₀ or Kd values. The deuterated compound serves as a quality control standard in these assays to ensure accurate quantification.
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| Cell Assay |
In vitro cell-based assays using estriol-d3 typically employ the compound as an internal standard for LC-MS/MS quantification of estriol in cell culture media or cell lysates rather than as a test compound. For studying estriol's biological activity, ER-positive breast cancer cell lines (e.g., MCF-7) and ER-negative cell lines (e.g., MDA-MB-231) are used to assess estrogenic and anti-estrogenic effects. Cell proliferation assays (MTT, BrdU), reporter gene assays with estrogen response element (ERE)-luciferase constructs, and gene expression analysis by qPCR are commonly employed. Standard cell culture conditions (37°C, 5% CO₂) with charcoal-stripped serum are used.
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| Animal Protocol |
In vivo animal studies utilizing estriol-d3 typically involve administration of the deuterated compound as a tracer or internal standard for pharmacokinetic studies rather than as a pharmacological agent. The compound is used to quantify endogenous estriol levels in plasma, urine, and tissue samples from animal models of hormone-related conditions. Typical study designs involve sample collection at various time points, followed by LC-MS/MS analysis using estriol-d3 as the internal standard for accurate quantification. Studies may investigate estriol metabolism, distribution, and excretion in rodent models. All procedures comply with institutional animal care and use guidelines.
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| ADME/Pharmacokinetics |
Estriol-d3 is used as an internal standard for the quantification of estriol by GC- or LC-mass spectrometry. It has a molecular weight of 291.40 g/mol and a molecular formula of C₁₈H₂₁D₃O₃. As an isotope-labeled compound, its chromatographic and mass spectrometric behavior is nearly identical to that of non-deuterated estriol, allowing for precise correction of analytical variability. The compound is typically stored under conditions recommended for stable isotope-labeled standards. Its pharmacokinetic properties as a tracer mirror those of endogenous estriol, enabling accurate quantification of estriol levels in biological samples from pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
Estriol-d3 is intended for research and analytical use only and is not approved for human therapeutic use. As a stable isotope-labeled internal standard, it is used in trace quantities in analytical methods and does not present significant toxicological concerns at these levels. Standard laboratory safety precautions should be observed when handling the compound, including the use of appropriate personal protective equipment. For the non-deuterated parent compound estriol, comprehensive toxicological data are available from its use in hormone replacement therapy. Estriol-d3 itself is not subject to the same toxicological evaluation as a therapeutic agent.
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| References |
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| Additional Infomation |
Estriol-d3 (CAS#: 79037-36-8) has a molecular formula of C₁₈H₂₁D₃O₃ and a molecular weight of 291.40 g/mol. Its IUPAC name is (8R,9S,13S,14S,16R,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2,4,17-d3-3,16,17-triol. The compound is the deuterium-labeled form of Estriol (CAS#: 50-27-1). Estriol is an antagonist of the G-protein coupled estrogen receptor in estrogen receptor-negative breast cancer cells. Estriol-d3 is intended for use as an internal standard for precise isotope dilution mass spectrometry (IDMS) quantification. It is not a drug and has not undergone clinical trials for therapeutic use.
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| Molecular Formula |
C18H21D3O3
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| Molecular Weight |
291.40
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| Exact Mass |
291.191
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| CAS # |
79037-36-8
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| Related CAS # |
Estriol;50-27-1
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| PubChem CID |
71316488
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| Appearance |
White to off-white solid powder
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| Density |
1.269g/cm3
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| Boiling Point |
469.02ºC at 760 mmHg
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| Melting Point |
284-286ºC
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| Flash Point |
220.828ºC
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| Index of Refraction |
1.624
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| LogP |
2.58
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
21
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| Complexity |
411
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| Defined Atom Stereocenter Count |
6
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| SMILES |
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@]4([2H])O)O)C)C(=C1O)[2H]
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| InChi Key |
PROQIPRRNZUXQM-GQLOBORWSA-N
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| InChi Code |
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i3D,8D,17D
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| Chemical Name |
(8R,9S,13S,14S,16R,17R)-2,4,17-trideuterio-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol
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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 | 3.4317 mL | 17.1585 mL | 34.3171 mL | |
| 5 mM | 0.6863 mL | 3.4317 mL | 6.8634 mL | |
| 10 mM | 0.3432 mL | 1.7159 mL | 3.4317 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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