| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
As a labeled internal standard, it has no biological target. It does not bind to estrogen receptors or sulfatase enzymes. Its role is purely analytical: it corrects for losses during sample preparation and ionization suppression in the mass spectrometer. The parent compound, 17β‑estradiol sulfate, is a storage form of estradiol and can be converted back by sulfatases, but the labeled version is not used for such 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].
No in vitro biological activity is associated with this compound. It is inert in cellular systems and does not affect estrogenic signaling. It is used as a spike‑in standard for method validation. In cell culture studies, it may be added to media to validate the extraction and quantification of estradiol sulfate, but it does not modulate any cellular function. |
| ln Vivo |
No in vivo activity. It is not administered to animals; rather, it is added ex vivo to plasma or tissue samples for accurate measurement of endogenous estradiol sulfate in pharmacokinetic or clinical studies.
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| Enzyme Assay |
Not applicable for receptor binding. For analytical protocols, a stock solution (1 mg/mL in methanol) is prepared. An aliquot (10‑50 µL) is added to 100‑200 µL of serum or plasma. After protein precipitation with acetonitrile, the supernatant is evaporated and reconstituted in mobile phase (water/methanol with ammonium acetate). LC‑MS/MS is performed on a C18 column; the labeled standard is detected via MRM (e.g., m/z 403 → 323 for the deuterated form).
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| Cell Assay |
Not applicable for cellular assays. In cellular metabolomics, the standard may be added to cell lysates to quantify intracellular estradiol sulfate. Cells are treated with hormones, lysed, spiked with IS, and analyzed. No functional assays are conducted with the IS alone.
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| Animal Protocol |
Not applicable as a therapeutic. In animal PK studies, the internal standard is added to plasma samples from dosed animals. The compound is not administered to the animals.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are irrelevant. The compound is stable at ‑20°C, soluble in methanol and water, and has high isotopic purity. It should be protected from light.
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| Toxicity/Toxicokinetics |
Toxicity data are not available; standard safety precautions apply. It is not for human use.
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| References |
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| Additional Infomation |
This deuterated standard is essential for accurate estradiol sulfate quantification in clinical research, especially in breast cancer and reproductive endocrinology. It is available from certified suppliers. Store desiccated.
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| Molecular Formula |
C18H20D4O5S.NA
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|---|---|
| Molecular Weight |
378.45200
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| Exact Mass |
378.141
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| CAS # |
352431-50-6
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| PubChem CID |
90472191
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| Appearance |
White to off-white solid powder
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| LogP |
3.823
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
25
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| Complexity |
591
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| Defined Atom Stereocenter Count |
5
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| SMILES |
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC([C@@H]4O)([2H])[2H])C)C(=C1OS(=O)(=O)[O-])[2H].[Na+]
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| InChi Key |
LMJQCTISQYSLPF-LDBFCMRTSA-M
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| InChi Code |
InChI=1S/C18H24O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1/i3D,7D2,10D;
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| Chemical Name |
sodium;[(8R,9S,13S,14S,17S)-2,4,16,16-tetradeuterio-17-hydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 | 2.6424 mL | 13.2118 mL | 26.4236 mL | |
| 5 mM | 0.5285 mL | 2.6424 mL | 5.2847 mL | |
| 10 mM | 0.2642 mL | 1.3212 mL | 2.6424 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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