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| Targets |
Diethylstilbestrol-d8 targets the same receptors as its non-deuterated parent compound, Diethylstilbestrol. Diethylstilbestrol is a synthetic nonsteroidal estrogen that binds to and activates estrogen receptors (ERα and ERβ). It exhibits potent estrogenic activity and has been used in the treatment of menopausal and postmenopausal disorders. As an estrogen receptor agonist, it modulates the transcription of estrogen-responsive genes involved in reproductive function, bone metabolism, and various other physiological processes. The deuterated form is used as an internal standard for accurate quantification of diethylstilbestrol in analytical studies.
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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, Diethylstilbestrol-d8 does not have intrinsic in vitro biological activity that is separately characterized from its non-deuterated parent compound. Diethylstilbestrol, the non-labeled form, is a potent synthetic nonsteroidal estrogen that binds to estrogen receptors (ERα and ERβ) with high affinity. In vitro, it stimulates estrogen-dependent gene transcription and cell proliferation in ER-positive breast cancer cell lines. It can also induce DNA oxidation and apoptosis of spermatogonial stem cells, as well as induce thymocyte autophagy. The deuterated form serves as an internal standard in these studies for accurate quantification by mass spectrometry. |
| ln Vivo |
Diethylstilbestrol-d8 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 diethylstilbestrol in biological samples. Diethylstilbestrol, the non-deuterated form, is a synthetic nonsteroidal estrogen with potent estrogenic activity when administered in vivo. It was historically used in the treatment of menopausal and postmenopausal disorders and has also been associated with endocrine disruption effects. The deuterated internal standard enables accurate measurement of diethylstilbestrol levels in pharmacokinetic, toxicokinetic, and environmental monitoring studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for diethylstilbestrol-d8 typically involve its use as an internal standard in competitive binding assays rather than as a test compound itself. The non-deuterated diethylstilbestrol can be assessed for binding affinity to estrogen receptors (ERα and ERβ) using radioligand binding assays with [³H]-estradiol as tracer. Assays are conducted in buffered solutions at physiological pH with appropriate receptor preparations. Binding affinity is expressed as IC₅₀ or Kd values. Competitive binding experiments determine the relative binding affinity of diethylstilbestrol compared to endogenous estrogens. The deuterated compound serves as a quality control standard.
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| Cell Assay |
In vitro cell-based assays using diethylstilbestrol-d8 typically employ the compound as an internal standard for LC-MS/MS quantification in cell culture media or cell lysates. For studying diethylstilbestrol's biological activity, ER-positive breast cancer cell lines (e.g., MCF-7) are commonly used to assess estrogenic activity through cell proliferation assays (MTT, BrdU), reporter gene assays with estrogen response element (ERE)-luciferase constructs, and gene expression analysis by qPCR. Diethylstilbestrol can induce DNA oxidation, apoptosis, and autophagy in various cell types. Standard cell culture conditions (37°C, 5% CO₂) are employed.
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| Animal Protocol |
In vivo animal studies utilizing diethylstilbestrol-d8 typically involve administration of the deuterated compound as a tracer or internal standard for pharmacokinetic or toxicokinetic studies. The compound is used to quantify diethylstilbestrol levels in plasma, urine, and tissue samples from animal models. Typical study designs involve sample collection at various time points following administration, followed by LC-MS/MS analysis using diethylstilbestrol-d8 as the internal standard. Studies may investigate the compound's distribution, metabolism, and excretion. All procedures comply with institutional animal care and use guidelines.
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| ADME/Pharmacokinetics |
Diethylstilbestrol-d8 is used as an internal standard for the quantification of diethylstilbestrol by GC- or LC-mass spectrometry. It has a molecular weight of 276.40 g/mol and a molecular formula of C₁₈H₁₂D₈O₂. As an isotope-labeled compound, its chromatographic and mass spectrometric behavior is nearly identical to that of non-deuterated diethylstilbestrol, 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 the parent compound.
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| Toxicity/Toxicokinetics |
Diethylstilbestrol-d8 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. The non-deuterated parent compound, diethylstilbestrol, is a known endocrine disruptor and has been associated with significant toxicological effects including carcinogenicity and teratogenicity. Standard laboratory safety precautions should be observed when handling diethylstilbestrol-d8, including the use of appropriate personal protective equipment and proper waste disposal procedures.
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| References |
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| Additional Infomation |
Diethylstilbestrol-d8 (Stilbestrol-d8) (CAS#: 91318-10-4) has a molecular formula of C₁₈H₁₂D₈O₂ and a molecular weight of 276.40 g/mol. Its IUPAC name is (E)-4,4'-(hex-3-ene-3,4-diyl-2,2,5,5-d4)bis(phen-2,6-d2-ol). It is the deuterium-labeled form of Diethylstilbestrol (CAS#: 56-53-1). Diethylstilbestrol is a synthetic nonsteroidal estrogen historically used in menopausal and postmenopausal disorder treatment. Diethylstilbestrol-d8 serves as an internal standard for accurate quantification in analytical methods. It is not a drug and is strictly a research reagent.
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| Molecular Formula |
C18H12D8O2
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| Molecular Weight |
276.399498939514
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| Exact Mass |
276.197
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| CAS # |
91318-10-4
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| Related CAS # |
Diethylstilbestrol;56-53-1
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| PubChem CID |
12312955
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.141g/cm3
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| Boiling Point |
407.102ºC at 760 mmHg
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| Melting Point |
169-172ºC
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| Flash Point |
186.946ºC
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| Index of Refraction |
1.603
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| LogP |
4.828
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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 |
4
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| Heavy Atom Count |
20
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| Complexity |
286
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(/C1C=C([2H])C(O)=C([2H])C=1)(\C([2H])([2H])C)=C(\C1C=C([2H])C(O)=C([2H])C=1)/C([2H])([2H])C
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| InChi Key |
RGLYKWWBQGJZGM-XWCVKCCGSA-N
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| InChi Code |
InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+/i3D2,4D2,9D,10D,11D,12D
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| Chemical Name |
2,6-dideuterio-4-[(E)-2,2,5,5-tetradeuterio-4-(3,5-dideuterio-4-hydroxyphenyl)hex-3-en-3-yl]phenol
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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 | 3.6179 mL | 18.0897 mL | 36.1795 mL | |
| 5 mM | 0.7236 mL | 3.6179 mL | 7.2359 mL | |
| 10 mM | 0.3618 mL | 1.8090 mL | 3.6179 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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