| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
10β,17β-Dihydroxyestra-1,4-dien-3-one (DHED) targets the brain through its conversion to 17β-estradiol. As a brain-selective prodrug, DHED is inactive in the periphery and is converted to the active estrogen 17β-estradiol only in the brain by an enzyme expressed exclusively in the CNS. The released 17β-estradiol then binds to and activates estrogen receptors (ERα and ERβ) in the brain, mediating neuroprotective effects and improving cognitive function. This brain-selective delivery avoids systemic estrogenic effects.
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| ln Vitro |
In vitro, DHED is an inactive bioprecursor prodrug that does not exhibit estrogenic activity until converted to 17β-estradiol. Its conversion to 17β-estradiol is mediated by a brain-specific enzyme. The compound's activity is assessed in cell-based assays measuring estrogen receptor activation using ER-responsive reporter gene constructs in cells that express the brain-specific converting enzyme. In cells that do not express this enzyme, DHED remains inactive, demonstrating its brain-selectivity.
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| ln Vivo |
10β,17β-dihydroxyestra-1,4-dien-3-one (DHED) is an inactive bioprecursor medication that exclusively converts in the brain to 17β-estradiol. One viable way to deliver E2 to the brain specifically for heat relief could be to use DHED as an E2 bioprecursor [1].
In vivo, DHED is converted to 17β-estradiol only in the brain, providing brain-selective estrogen delivery. It has neuroprotective effects and can improve cognitive dysfunction. The compound can be used for the research of brain injury. By delivering estrogen specifically to the brain, DHED avoids the systemic side effects associated with conventional estrogen therapy, such as increased risk of breast cancer and thromboembolic events. Further in vivo studies are needed to fully characterize its therapeutic potential. |
| Enzyme Assay |
In vitro enzyme/receptor binding assays for DHED typically involve assessing its conversion to 17β-estradiol by the brain-specific converting enzyme. The compound's conversion to 17β-estradiol is measured using LC-MS/MS or other analytical methods. The released 17β-estradiol can be assessed for binding affinity to estrogen receptors (ERα and ERβ) using competitive binding assays with radiolabeled or fluorescently labeled estradiol as tracer. Assays are conducted in buffered solutions at physiological pH with appropriate enzyme preparations.
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| Cell Assay |
In vitro cell-based assays for DHED utilize cell lines that express the brain-specific converting enzyme to assess its conversion to 17β-estradiol and subsequent estrogen receptor activation. Cells are treated with DHED, and estrogen receptor-mediated transcriptional activity is evaluated using reporter gene assays with estrogen response element (ERE)-luciferase constructs. In cells that do not express the converting enzyme, DHED remains inactive, confirming brain-selectivity. Standard cell culture conditions (37°C, 5% CO₂) with appropriate media are employed.
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| Animal Protocol |
In vivo animal studies with DHED typically involve administration of the compound to rodent models of brain injury, neurodegenerative diseases, or cognitive dysfunction. The compound is administered via appropriate routes (e.g., intravenous, subcutaneous, or oral). Endpoints include assessment of neuroprotection, cognitive function, measurement of 17β-estradiol levels in brain and peripheral tissues, evaluation of estrogen target gene expression in the brain, and pharmacokinetic profiling. All procedures must comply with institutional animal care and use guidelines.
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| ADME/Pharmacokinetics |
DHED has a molecular weight of 288.38 g/mol and a molecular formula of C₁₈H₂₄O₃. It is a brain-selective prodrug of 17β-estradiol that is converted to the active estrogen only in the brain by a CNS-specific enzyme. The compound is typically stored under conditions recommended for research chemicals. Its pharmacokinetic properties are characterized by brain-selective conversion, with minimal systemic estrogen exposure. Further studies are needed to fully characterize its PK profile.
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| Toxicity/Toxicokinetics |
DHED is intended for research use only and is not approved for human therapeutic applications. As a research chemical, comprehensive toxicological data are not extensively documented in the publicly accessible literature. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. As with all research chemicals, comprehensive toxicological profiling would be required before any consideration for clinical development. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| References | |
| Additional Infomation |
10β,17β-Dihydroxyestra-1,4-dien-3-one (DHED) (CAS#: 549-02-0) has a molecular formula of C₁₈H₂₄O₃ and a molecular weight of 288.38 g/mol. It is a brain-selective prodrug of 17β-estradiol that is converted to the active estrogen only in the brain. DHED has neuroprotective effects and can improve cognitive dysfunction. It can be used for the research of brain injury. This compound is not a drug and has not undergone clinical trials.
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| Molecular Formula |
C18H24O3
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|---|---|
| Molecular Weight |
288.38
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| Exact Mass |
288.172
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| CAS # |
549-02-0
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| PubChem CID |
11851170
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| Appearance |
White to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
485.3±45.0 °C at 760 mmHg
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| Flash Point |
261.4±25.2 °C
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| Vapour Pressure |
0.0±2.8 mmHg at 25°C
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| Index of Refraction |
1.607
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| LogP |
1.82
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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 |
549
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| Defined Atom Stereocenter Count |
6
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| SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34O
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| InChi Key |
UIKDFTLKOKNUJP-UGDFAFBOSA-N
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| InChi Code |
InChI=1S/C18H24O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-16,20-21H,2-5,7-8H2,1H3/t13-,14-,15-,16-,17-,18+/m0/s1
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| Chemical Name |
(8S,9S,10S,13S,14S,17S)-10,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-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) |
DMSO: 100 mg/mL (346.76 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.21 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (7.21 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (7.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.4676 mL | 17.3382 mL | 34.6765 mL | |
| 5 mM | 0.6935 mL | 3.4676 mL | 6.9353 mL | |
| 10 mM | 0.3468 mL | 1.7338 mL | 3.4676 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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