| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Z,Z-Dienestrol-d6 functions by targeting the estrogen receptors (ERalpha and ERbeta) in target cells. It binds to these receptors, and the receptor-ligand complex translocates to the nucleus, where it binds to DNA and initiates or enhances the transcription of estrogen-responsive genes.
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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].
There is no specific in vitro biological activity reported for the labeled standard itself. However, it is used in analytical chemistry as a reference standard to study estrogenic compounds. The parent compound, Dienestrol, is a synthetic non-steroidal estrogen that acts as a receptor agonist, but its deuterated form is intended for tracking and quantification. |
| ln Vivo |
The labeled standard is not used for direct in vivo activity studies. Instead, it is applied in pharmacokinetic studies to understand the metabolism and distribution of estrogenic drugs in model systems. As an isotope-labeled internal standard, it is co-administered with the unlabeled compound to trace its levels in vivo.
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| Enzyme Assay |
There is no standard protocol for Z,Z-Dienestrol-d6 in enzyme/receptor binding assays. As an analytical standard, it is typically characterized by NMR, HPLC, and mass spectrometry. When used for receptor binding studies, it would be prepared by dissolving in an appropriate solvent (e.g., ethanol or DMSO) and used as a competitor in a radioligand binding assay with ER-positive cell lysates.
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| Cell Assay |
This compound is not used for direct cell-based experiments for its own activity. It is employed as a reference standard in analytical workflows to quantify unlabeled Dienestrol in cell lysates or culture media via LC-MS/MS. The deuterated standard is added to samples during preparation to correct for analyte loss and matrix effects.
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| Animal Protocol |
There is no standard in vivo protocol for the labeled standard alone. In a typical PK study, unlabeled Dienestrol is administered to an animal model (e.g., rodent). Deuterated Dienestrol is added to collected plasma or tissue samples as an internal standard during sample processing to quantify the parent drug by LC-MS/MS to determine its exposure.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties are not applicable for the labeled standard, as it is not administered in vivo. When used as an internal standard in PK studies of Dienestrol, it is typically formulated as a solution in DMSO, ethanol, or methanol for analytical use.
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| Toxicity/Toxicokinetics |
General toxicity for Z,Z-Dienestrol-d6 is not extensively documented. As a stable isotope-labeled standard used at trace concentrations for analytical purposes, it is considered to have low acute toxicity. However, as a compound that binds to estrogen receptors, standard safety protocols for handling estrogenic compounds should be followed.
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| References | |
| Additional Infomation |
Z,Z-Dienestrol-d6 is a research-grade isotope-labeled standard used for the precise quantification of the synthetic estrogen Z,Z-Dienestrol. The incorporation of six deuterium atoms provides a mass shift of +6 Da in mass spectrometry, allowing for accurate and reproducible analysis. This product is for research use only and is not for diagnostic or therapeutic applications.
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| Molecular Formula |
C18H12D6O2
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|---|---|
| Molecular Weight |
272.37
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| Exact Mass |
266.131
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| CAS # |
91297-99-3
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| PubChem CID |
71315977
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
4.604
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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 |
3
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| Heavy Atom Count |
20
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| Complexity |
318
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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])\C)\C(\C1C=C([2H])C(O)=C([2H])C=1)=C(\[2H])/C
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| InChi Key |
NFDFQCUYFHCNBW-QNQXKPHDSA-N
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| InChi Code |
InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3-,18-4-/i3D,4D,9D,10D,11D,12D
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| Chemical Name |
2,6-dideuterio-4-[(2Z,4Z)-2,5-dideuterio-4-(3,5-dideuterio-4-hydroxyphenyl)hexa-2,4-dien-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 | 3.6715 mL | 18.3574 mL | 36.7148 mL | |
| 5 mM | 0.7343 mL | 3.6715 mL | 7.3430 mL | |
| 10 mM | 0.3671 mL | 1.8357 mL | 3.6715 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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