| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
As a labeled estrogen sulfate, Estrone sulfate-d4 sodium targets steroid sulfatase (STS), the enzyme that converts estrone sulfate to estrone. The compound is used to study estrogen metabolism and the role of STS in hormone-dependent cancers.
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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].
Estrone sulfate-d4 sodium is used in vitro as a tracer to study estrogen metabolism and steroid sulfatase activity. The compound does not exhibit intrinsic pharmacological activity beyond that of estrone sulfate but serves as a quantitative tool for studying hormone metabolism. |
| ln Vivo |
In vivo, Estrone sulfate-d4 sodium is used in pharmacokinetic and metabolic studies to trace the conversion of estrone sulfate to estrone. The deuterium label allows for precise quantification of the compound and its metabolites in biological fluids and tissues using mass spectrometry.
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| Enzyme Assay |
As an analytical standard, Estrone sulfate-d4 sodium is used in steroid hormone analysis. Typical protocols involve spiking the labeled compound into samples prior to extraction and analysis by LC-MS/MS. The compound serves as an internal standard to correct for matrix effects and instrument variability.
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| Cell Assay |
In vitro cell culture experiments using Estrone sulfate-d4 sodium involve treating estrogen-responsive cells with the labeled compound and analyzing its uptake and conversion to estrone by mass spectrometry. The compound can be used to study steroid sulfatase activity and estrogen signaling.
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| Animal Protocol |
In vivo animal studies using Estrone sulfate-d4 sodium involve administering the compound to rodents via oral gavage or intravenous injection. Blood samples are collected at various time points, and the concentration of the labeled compound and its metabolites is measured by mass spectrometry.
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| ADME/Pharmacokinetics |
Estrone sulfate-d4 sodium exhibits pharmacokinetic properties similar to those of unlabeled estrone sulfate. As a steroid sulfate, it has a long circulating half-life and is converted to estrone by steroid sulfatase in tissues. The deuterium label provides a distinct mass shift for analytical detection.
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| Toxicity/Toxicokinetics |
Estrone sulfate-d4 sodium is considered safe for research use at typical concentrations. As a naturally occurring estrogen metabolite, estrone sulfate has a well-established safety profile. The compound is stable if stored under recommended conditions. As a stable isotope-labeled compound, it is not intended for therapeutic use.
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| References |
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| Additional Infomation |
Estrone sulfate-d4 sodium has a molecular formula of C₁₈H₁₇D₄NaO₅S and a molecular weight of 376.44. Isotopic enrichment is typically 98 atom% D. The compound is stored refrigerated (2-8°C) and is stabilized with TRIS (50% w/w). It is primarily used as an internal standard for mass spectrometry-based quantification of estrone sulfate.
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| Molecular Formula |
C18H18D4O5S
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|---|---|
| Molecular Weight |
354.45400
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| Exact Mass |
354.144
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| CAS # |
285979-80-8
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| Related CAS # |
Estrone sulfate sodium;438-67-5
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| PubChem CID |
71311485
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| Appearance |
White to off-white solid powder
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| Melting Point |
300ºC(lit.)
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| LogP |
4.374
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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 |
24
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| Complexity |
624
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| Defined Atom Stereocenter Count |
4
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| SMILES |
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1OS(=O)(=O)O)[2H]
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| InChi Key |
JKKFKPJIXZFSSB-QSPUTOQOSA-N
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| InChi Code |
InChI=1S/C18H22O5S/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/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D
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| Chemical Name |
[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] hydrogen 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 | 2.8213 mL | 14.1064 mL | 28.2127 mL | |
| 5 mM | 0.5643 mL | 2.8213 mL | 5.6425 mL | |
| 10 mM | 0.2821 mL | 1.4106 mL | 2.8213 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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