| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Isotope-Labeled Compounds (non-radioactive tracer). beta-Dihydroequilin is an estrogen receptor agonist, but the deuterated form is chemically stable and used for analytical purposes, not as an active pharmacological ligand.
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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].
In vitro, stable heavy isotopes are incorporated into drug molecules to serve as tracers for quantitation during drug development. No specific cell-based activity has been reported, as this compound is not intended for biological activation studies. |
| ln Vivo |
In vivo pharmacokinetic studies are not directly performed; however, deuteration can impact the pharmacokinetic and metabolic profiles of parent drugs by altering metabolic stability.
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| Enzyme Assay |
Cell-free assay protocols involve mixing the deuterated standard with biological matrix, protein precipitation, centrifugation, and LC-MS/MS analysis. Quantitation is achieved by comparing deuterated internal standard peak areas to analyte peaks.
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| Cell Assay |
No cell-based assays are performed, as it is a stable isotope-labeled analytical standard.
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| Animal Protocol |
Animal studies for beta-Dihydroequilin-d4 are not applicable; but for the non-labeled version, ovariectomized rat models are used to assess estrogenic effects via uterine weight increase, while in vivo pharmacokinetics would involve single IV or oral dosing. The deuterated analog is not tested in animals itself.
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| ADME/Pharmacokinetics |
PK studies have not been reported for this specific compound. However, deuterium substitution in related estrogens can affect absorption, distribution, metabolism, and excretion (ADME) by altering cytochrome P450 metabolic rates.
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| Toxicity/Toxicokinetics |
No toxicity data are available for this specific compound. It is intended solely for laboratory research use as an analytical standard, not for human therapeutic applications. Deuterium substitution may reduce the formation of toxic metabolites in some drugs.
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| References | |
| Additional Infomation |
beta-Dihydroequilin-d4 is a research chemical, not approved for clinical use. It is used in hormone therapy analytical method development and may serve as a reference standard for drug monitoring. Unlabeled beta-Dihydroequilin is an ingredient in conjugated equine estrogens (Premarin).
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| Molecular Formula |
C18H18D4O2
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|---|---|
| Molecular Weight |
272.37
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| Exact Mass |
272.171
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| CAS # |
350819-99-7
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| PubChem CID |
23130
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| Appearance |
White to off-white solid powder
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| LogP |
3.736
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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 |
0
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| InChi Key |
RYWZPRVUQHMJFF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3
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| Chemical Name |
13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[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 | 3.6715 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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