| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
16-Ketoestradiol targets the estrogen receptor (ER). As an active metabolite of estradiol, it binds to estrogen receptors (ERα and ERβ) and activates estrogen-mediated signaling pathways. The estrogen receptor is a nuclear receptor that, upon ligand binding, translocates to the nucleus and regulates the transcription of target genes. These genes are involved in various physiological processes, including reproductive development, bone metabolism, cardiovascular function, and neuroprotection. 16-Ketoestradiol is a potent estrogen receptor agonist, meaning it activates the receptor.
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| ln Vitro |
In vitro, 16-Ketoestradiol is a potent estrogen receptor agonist. Its activity can be assessed in cell-based assays measuring estrogen-responsive gene expression or cell proliferation in estrogen-dependent cell lines. As an endogenous estrogen metabolite, it contributes to the overall estrogenic activity in the body. The compound is used as a research tool to study estrogen signaling and the biological effects of estradiol metabolites. Its activity is characterized by its ability to bind to and activate estrogen receptors.
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| ln Vivo |
In vivo, 16-Ketoestradiol is an active metabolite of the endogenous estrogen 17β-estradiol. It is formed through the metabolism of estradiol and contributes to the overall estrogenic effects in the body. As a potent estrogen receptor agonist, it can exert estrogenic effects on various tissues. The compound has been studied for its potential therapeutic and toxic effects. However, specific data on its pharmacological effects as an administered compound are limited, as it is primarily studied as a metabolite.
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| Enzyme Assay |
In vitro receptor binding assay protocols for 16-Ketoestradiol would typically involve measuring its binding affinity for estrogen receptors (ERα and ERβ). A standard protocol would involve incubating the compound with ER protein and a radiolabeled or fluorescently labeled estradiol ligand in a competitive binding assay. The concentration of compound required to displace 50% of the labeled ligand (IC50) is determined, and the inhibition constant (Ki) is calculated. Functional assays measuring estrogen-responsive reporter gene activity can also be used to assess agonist activity.
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| Cell Assay |
In vitro cell-based assay protocols for 16-Ketoestradiol would typically involve treating estrogen-responsive cell lines (e.g., MCF-7 breast cancer cells) with the compound. Cell proliferation is measured to assess estrogenic activity. Estrogen-responsive gene expression can be measured by qPCR or reporter gene assays. Appropriate controls include vehicle-treated cells and cells treated with 17β-estradiol for comparison.
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| Animal Protocol |
In vivo animal experimental protocols for 16-Ketoestradiol have not been extensively reported. As a metabolite of estradiol, its effects are typically studied in the context of overall estrogen metabolism. Studies on the effects of estradiol metabolites in ovariectomized rodent models could be used to assess its in vivo estrogenic activity, with endpoints including uterine weight, bone density, and serum lipid levels.
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| ADME/Pharmacokinetics |
16-Ketoestradiol is an endogenous metabolite of estradiol and is not typically administered as a drug. Its pharmacokinetic properties are not well-characterized as a standalone compound. It has a molecular weight of 286.37.
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| References | |
| Additional Infomation |
16-Ketoestradiol is a 16-oxosteroid.
16-Ketoestradiol is a research-grade compound used to study estrogen metabolism and signaling. It is an active metabolite of 17β-estradiol and a potent estrogen receptor agonist. It has not entered clinical trials and is not approved for any therapeutic indication. Its mechanism of action involves binding to and activating estrogen receptors. The compound is available for research purposes. |
| Molecular Formula |
C18H22O3
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|---|---|
| Molecular Weight |
286.37
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| Exact Mass |
286.157
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| CAS # |
566-75-6
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| PubChem CID |
66417
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.249 g/cm3
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| Boiling Point |
493.2ºC at 760 mmHg
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| Flash Point |
266.2ºC
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| Index of Refraction |
1.494
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| LogP |
2.788
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
21
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| Complexity |
448
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)[C@@H]2O)CCC4=C3C=CC(=C4)O
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| InChi Key |
KJDGFQJCHFJTRH-YONAWACDSA-N
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| InChi Code |
InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1
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| Chemical Name |
(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-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) |
Typically soluble in DMSO (e.g. 10 mM)
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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 | 3.4920 mL | 17.4599 mL | 34.9199 mL | |
| 5 mM | 0.6984 mL | 3.4920 mL | 6.9840 mL | |
| 10 mM | 0.3492 mL | 1.7460 mL | 3.4920 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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