| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
The primary target of 2-Bromoestradiol is the enzyme estrogen 2-hydroxylase, a cytochrome P450 (CYP) enzyme involved in the oxidative metabolism of estrogens. It also binds to the Estrogen Receptor (ER) and is used as a tool to study ligand binding and the conformational changes of the receptor upon activation. By inhibiting estrogen hydroxylation, it modulates the metabolic pathway of the natural hormone.
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| ln Vitro |
In vitro, 2-Bromoestradiol has been shown to decrease the irreversible binding of radiolabeled estradiol metabolites to microsomal proteins. This activity is a direct consequence of its inhibition of estrogen 2-hydroxylase. As a structural analog, it is used in in vitro assays to determine the effects of halogen substitution on estrogen-receptor binding affinity and transcriptional activity.
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| ln Vivo |
No specific in vivo data for 2-Bromoestradiol was found. In vivo, its primary activity is inferred from its mechanism: the inhibition of estrogen 2-hydroxylase would likely alter the metabolism and clearance of endogenous estrogens. This could lead to elevated circulating levels of estradiol and its other metabolites. Such a compound is a valuable tool for elucidating the role of specific metabolic pathways in the context of estrogen physiology.
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| Enzyme Assay |
Standard method to assess estrogen 2-hydroxylase activity: Liver microsomes are prepared from female rat liver. A reaction mixture (1 mL final volume) containing 0.5 mg microsomal protein, 0.1 mM EDTA, 1 mM NADPH, 5 mM MgCl2, and 10-100 uM of 2-Bromoestradiol as an inhibitor is pre-incubated at 37degC for 5 minutes. The reaction is initiated by adding 100 uM [3H]-estradiol. After 30 minutes, the reaction is terminated, and the catechol estrogen metabolites (2-OHE1/2-OHE2) are extracted and quantified by HPLC with electrochemical detection.
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| Cell Assay |
A standard cell-based assay for studying estrogen receptor modulation: ER-positive breast cancer cells (e.g., MCF-7) are seeded in 96-well plates in phenol red-free DMEM with 10% charcoal-stripped FBS. After 24 hours, cells are treated with 2-Bromoestradiol at concentrations ranging from 0.01 nM to 10 uM for 48 hours. Cell proliferation is measured using a BrdU incorporation assay. Additionally, ER-mediated transcriptional activity can be assessed by transfecting the cells with an estrogen response element (ERE)-luciferase reporter plasmid.
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| Animal Protocol |
A general in vivo protocol for studying estrogen metabolism: Female Sprague-Dawley rats are ovariectomized to remove endogenous estrogen production. After recovery, rats are administered 2-Bromoestradiol (e.g., 0.1, 1, 10 mg/kg) orally or intraperitoneally once daily for 7-14 days. Blood samples are collected to measure serum estradiol and its hydroxylated metabolites by LC-MS/MS. Additionally, estrogen-dependent tissues (e.g., uterus) are harvested at the end of the study and weighed.
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| ADME/Pharmacokinetics |
No PK data was found for 2-Bromoestradiol. As a small, lipophilic steroid analog, it would likely be well-absorbed after oral administration. Its half-life and metabolic clearance are expected to be longer than that of estradiol due to the blocking of its 2-hydroxylation pathway. Detailed ADME (absorption, distribution, metabolism, excretion) data are not available in the summarized literature.
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| Toxicity/Toxicokinetics |
No specific toxicity data for 2-Bromoestradiol was found. Given that it is a derivative of estradiol and an inhibitor of its metabolism, it would likely possess hormonal and potentially genotoxic properties. Standard laboratory safety practices for handling potential carcinogens and hormone-disrupting chemicals should be followed when working with this compound.
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| References | |
| Additional Infomation |
2-Bromoestradiol is a research-grade chemical used for non-clinical laboratory studies. Its CAS number is 15833-07-5, molecular formula C18H23BrO2, and molecular weight 351.28. Purity is reported as ≥99%. It is a valuable tool for studying the relationship between estrogen structure and biological activity. This product is not a drug and is not intended for human consumption. Each product in one row, fields tab-separated.
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| Molecular Formula |
C18H23BRO2
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|---|---|
| Molecular Weight |
351.28
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| Exact Mass |
350.088
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| CAS # |
15833-07-5
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| PubChem CID |
14607641
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| Appearance |
Typically exists as solids at room temperature
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| Density |
1.411g/cm3
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| Boiling Point |
447.3ºC at 760mmHg
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| Flash Point |
224.3ºC
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| Vapour Pressure |
8.71E-09mmHg at 25°C
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| Index of Refraction |
1.618
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| LogP |
4.372
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
21
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| Complexity |
414
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| Defined Atom Stereocenter Count |
5
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| SMILES |
OC1=C(Br)C=C2[C@H]3CC[C@@]4(C(CC[C@H]4[C@@H]3CCC2=C1)O)C
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| InChi Key |
SORISAYAZBCIQH-XSSYPUMDSA-N
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| InChi Code |
InChI=1S/C18H23BrO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
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| Chemical Name |
(8R,9S,13S,14S,17S)-2-bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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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 | 2.8467 mL | 14.2337 mL | 28.4673 mL | |
| 5 mM | 0.5693 mL | 2.8467 mL | 5.6935 mL | |
| 10 mM | 0.2847 mL | 1.4234 mL | 2.8467 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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