| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Estrone-d4 targets the estrogen receptor. As a deuterated form of estrone, it exerts its effects by mimicking the action of natural estrone. It enters the cells of target tissues and binds to nuclear estrogen receptors. This binding activates estrogen-responsive genes and pathways, leading to various biological effects, including regulation of cellular growth, development, and differentiation. The compound is used as a tracer in studies of estrogen metabolism and signaling.
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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, Estrone-d4 is used as a stable isotope-labeled internal standard for the quantification of estrone in biological samples by mass spectrometry. It is employed in studies investigating the effects of estrogens on cellular growth, development, and differentiation. The compound is also used to examine estrogen-induced effects on gene expression, metabolism, and hormone production. Its stability and low toxicity make it a valuable tool for laboratory experiments. |
| ln Vivo |
There are no therapeutic in vivo applications for Estrone-d4. It is a research tool used as an internal standard in analytical chemistry and as a tracer in metabolic studies. It is not administered as a therapeutic agent.
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| Enzyme Assay |
The in vitro receptor binding assay for Estrone-d4 involves measuring its binding affinity to estrogen receptors. This is typically done using competitive binding assays with radiolabeled estrogens on cells or tissue extracts expressing estrogen receptors. The compound's ability to activate estrogen-responsive gene expression is also measured using reporter gene assays in cell lines.
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| Cell Assay |
In vitro cell-based assays for Estrone-d4 involve treating cells expressing estrogen receptors with the compound and measuring downstream signaling events, such as gene expression, cell proliferation, or differentiation. The compound is used as a tool to study estrogen receptor-mediated effects in various cell types, including breast cancer cells and neuronal cells.
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| Animal Protocol |
There are no standard in vivo animal experimental protocols for Estrone-d4 as it is not a therapeutic agent. It is used as an internal standard in pharmacokinetic studies of estrone and other estrogens in animal models.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Estrone-d4 are not characterized as it is not a drug. It is used as an internal standard for the quantification of estrone in pharmacokinetic studies. The compound is stable and has low toxicity.
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| Toxicity/Toxicokinetics |
No toxicity data for Estrone-d4 are available. As a deuterated form of a natural hormone, it is expected to have low toxicity. The compound is for research use only and not for human therapeutic applications.
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| References |
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| Additional Infomation |
Estrone-d4 is a deuterated variant of estrone used as an internal standard in analytical chemistry and as a tracer in metabolic studies. It is a labeled 17β-Estradiol metabolite. Its CAS number is 53866-34-5. It is for research use only and not intended for diagnostic or therapeutic use.
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| Molecular Formula |
C18H22O2
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|---|---|
| Molecular Weight |
270.36608
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| Exact Mass |
274.187
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| CAS # |
53866-34-5
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| Related CAS # |
Estrone;53-16-7
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| PubChem CID |
11737421
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
445.2±45.0 °C at 760 mmHg
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| Melting Point |
258-260ºC(lit.)
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| Flash Point |
189.7±21.3 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.587
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| LogP |
3.69
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| Hydrogen Bond Donor Count |
1
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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 |
418
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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(=C1O)[2H]
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| InChi Key |
DNXHEGUUPJUMQT-QSPUTOQOSA-N
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| InChi Code |
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D
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| Chemical Name |
(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[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 | 3.6986 mL | 18.4932 mL | 36.9864 mL | |
| 5 mM | 0.7397 mL | 3.6986 mL | 7.3973 mL | |
| 10 mM | 0.3699 mL | 1.8493 mL | 3.6986 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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