| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
As a deuterated internal standard, 2‑methoxyestrone‑d4 has no biological target. Its purpose is to serve as an analytical tracer in mass spectrometry. The deuterium atoms provide a +4 Da mass shift relative to the native compound, allowing the instrument to distinguish between the analyte and the internal standard. It does not bind to estrogen receptors, enzymes, or transporters. Its molecular target is the mass spectrometer detector, where it is monitored via specific multiple reaction monitoring (MRM) transitions.
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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].
The compound exhibits no intrinsic in vitro biological activity. It is not used in cell‑based or enzyme assays to measure pharmacological effects. Its only in vitro application is as a spike‑in standard for quantitative analytical methods. In method validation, it is added to blank matrices to generate calibration curves and quality control samples. It does not affect cell viability, enzyme activity, or receptor binding. Its chemical behavior is identical to that of unlabeled 2‑methoxyestrone in terms of solubility, chromatography, and extraction recovery. |
| ln Vivo |
No in vivo pharmacological activity is associated with this compound. It is not administered to animals for therapeutic or toxicological testing. In pharmacokinetic studies, it may be added to plasma samples from dosed animals to enable accurate measurement of endogenous or exogenous 2‑methoxyestrone levels. It does not cross the blood‑brain barrier or exert any physiological effect. Its use is limited to ex vivo sample processing.
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| Enzyme Assay |
Not applicable for receptor binding. For analytical use, a typical protocol involves preparing a stock solution (1 mg/mL in methanol) and diluting to working concentrations (1–100 ng/mL). An aliquot (e.g., 50 µL) is added to 200 µL of serum or plasma. After protein precipitation with acetonitrile (containing internal standard), the sample is centrifuged, and the supernatant is dried and reconstituted in mobile phase. LC‑MS/MS analysis is performed on a C18 column with gradient elution (water/acetonitrile with formic acid). The MRM transition for the deuterated standard is typically m/z 305 → 261 (or similar).
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| Cell Assay |
Not applicable for cellular assays. In analytical applications, cellular lysates or culture media may be spiked with the internal standard to validate the method for cellular metabolomics. For example, cells are incubated with test compounds, and the medium is collected, spiked with the deuterated standard, and processed for LC‑MS/MS. The internal standard corrects for losses during extraction and ionization. No functional cellular endpoints are measured using this compound alone.
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| Animal Protocol |
Not applicable for animal studies as a therapeutic. However, in preclinical studies measuring 2‑methoxyestrone in animal plasma, the deuterated standard is added during sample preparation. The animal study protocol involves dosing test compounds, collecting blood at various time points, and processing plasma with the internal standard. The compound itself is not injected into animals; it is only used ex vivo as a quality control tool.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not relevant for the labeled compound itself. It is chemically stable when stored at ‑20°C in a desiccated environment. Its solubility in organic solvents is similar to that of 2‑methoxyestrone (soluble in methanol, ethanol, DMSO). The deuterium labeling does not significantly alter its chromatographic retention or ionization efficiency. It is typically supplied as a solid with purity >98% and is stable for at least 2 years under recommended storage.
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| Toxicity/Toxicokinetics |
Toxicity data are not available because the compound is not for human use. Standard chemical safety precautions apply: it may cause eye, skin, and respiratory irritation. It is not known to be mutagenic or carcinogenic. As an analytical reference material, it is handled in small quantities (mg level), and exposure risks are minimal. Always use appropriate personal protective equipment and work in a fume hood.
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| References | |
| Additional Infomation |
2‑Methoxyestrone‑d4 is a certified internal standard for estrogen metabolite analysis in clinical research. It is commonly used in studies of breast cancer, endometriosis, and osteoporosis. It is also employed in doping control and endocrinology. The compound is available from multiple suppliers as a reference standard with a certificate of analysis. It should be protected from light and moisture. This standard is not intended for therapeutic or diagnostic use; it is strictly for research and quality control.
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| Molecular Formula |
C19H24O3
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|---|---|
| Molecular Weight |
304.416712760925
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| Exact Mass |
300.173
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| CAS # |
949885-90-9
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| Related CAS # |
2-Methoxyestrone;362-08-3
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| PubChem CID |
131701205
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| Appearance |
White to yellow solid powder
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| LogP |
3.826
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
22
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| Complexity |
462
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| Defined Atom Stereocenter Count |
4
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| SMILES |
[2H]C1C[C@@H]2[C@H](CC[C@]3([C@H]2CCC3=O)C)C4=C(C(=C(C(=C14)[2H])O[2H])OC)[2H]
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| InChi Key |
WHEUWNKSCXYKBU-NZTFOOEBSA-N
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| InChi Code |
InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i3D,9D,10D/hD/t3?,12-,13+,15-,19-
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| Chemical Name |
(8R,9S,13S,14S)-1,4,6-trideuterio-3-deuteriooxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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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 | 3.2849 mL | 16.4247 mL | 32.8494 mL | |
| 5 mM | 0.6570 mL | 3.2849 mL | 6.5699 mL | |
| 10 mM | 0.3285 mL | 1.6425 mL | 3.2849 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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