Estradiol 3-sulfamate
Based on 1 Customer Validation
Estradiol 3-sulfamate (BLE 00084; E2MATE; ES-J 995) is a potent, long-acting, and orally active steroid sulfatase inhibitor; inhibits estrone sulfatase with an IC50 of 251 nM and a Ki of 133 nM.
For research use only. We do not sell to patients.
- Purity: 99.87%
- CAS No.: 172377-52-5
- Formula: C18H25NO4S
- Molecular Weight:351.46
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
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Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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Biological Activity
IC50: 251 nM (estrone sulfatase)[1]
Ki: 133 nM (estrone sulfatase)[1]
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| Cancer cell lines | GI50 |
21 μM
Compound: 4 (E2MATE)
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Concentration required to inhibit the growth of HOP-6 human lung cancer cells by 50%
Concentration required to inhibit the growth of HOP-6 human lung cancer cells by 50%
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[PMID: 16078843] |
| DU-145 | GI50 |
0.19 μM
Compound: 4 (E2MATE)
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Concentration required to inhibit the growth of DU-145 human prostate cancer cells by 50%
Concentration required to inhibit the growth of DU-145 human prostate cancer cells by 50%
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[PMID: 16078843] |
| HCT-116 | GI50 |
0.066 μM
Compound: 4 (E2MATE)
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Concentration required to inhibit the growth of HCT116 human colon cancer cells by 50%
Concentration required to inhibit the growth of HCT116 human colon cancer cells by 50%
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[PMID: 16078843] |
| MCF7 | GI50 |
0.36 μM
Compound: 4 (E2MATE)
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Inhibition of the growth of human breast cancer MCF-7 cells done for 2 hr at 37 degree C with compound
Inhibition of the growth of human breast cancer MCF-7 cells done for 2 hr at 37 degree C with compound
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[PMID: 16078843] |
| MDA-MB-435 | GI50 |
0.02 μM
Compound: 4 (E2MATE)
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Concentration required to inhibit the growth of MDA-MB-435 human breast cancer cells by 50%
Concentration required to inhibit the growth of MDA-MB-435 human breast cancer cells by 50%
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[PMID: 16078843] |
| OVCAR-3 | GI50 |
0.026 μM
Compound: 4 (E2MATE)
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Concentration required to inhibit the growth of OVCAR-3 human ovarian cancer cells by 50%
Concentration required to inhibit the growth of OVCAR-3 human ovarian cancer cells by 50%
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[PMID: 16078843] |
| SF-539 | GI50 |
0.044 μM
Compound: 4 (E2MATE)
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Concentration required to inhibit the growth of SF-539 human CNS cancer cells by 50%
Concentration required to inhibit the growth of SF-539 human CNS cancer cells by 50%
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[PMID: 16078843] |
| SN12C | GI50 |
0.32 μM
Compound: 4 (E2MATE)
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Concentration required to inhibit the growth of SN12C human renal cancer cells by 50%
Concentration required to inhibit the growth of SN12C human renal cancer cells by 50%
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[PMID: 16078843] |
| UACC-62 | GI50 |
0.039 μM
Compound: 4 (E2MATE)
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Concentration required to inhibit the growth of UACC-62 human melanoma cells by 50%
Concentration required to inhibit the growth of UACC-62 human melanoma cells by 50%
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[PMID: 16078843] |
Introduction of a fluoro, chloro, or bromo moiety at the C-2 position of EMATE and Estradiol 3-sulfamate and that of a fluoro moiety at the C-4 position of the parent sulfamates markedly increase the estrone sulfatase inhibitory activity[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 172377-52-5
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Appearance Solid
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Molecular Weight 351.46
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Formula C18H25NO4S
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Color White to off-white
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SMILES
C[C@@]1([C@H]2O)[C@](CC2)([H])[C@@](CCC3=C4C=CC(OS(N)(=O)=O)=C3)([H])[C@]4([H])CC1
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Synonyms
BLE 00084; E2MATE; ES-J 995
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Solvent & Solubility
DMSO : 62.5 mg/mL (177.83 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (5.92 mM); Clear solution
This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.08 mg/mL (5.92 mM); Clear solution
This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
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Data Sheet (274 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
[1]. Numazawa M, et al. Inhibition of estrone sulfatase by aromatase inhibitor-based estrogen 3-sulfamates. Steroids. 2006 May;71(5):371-9. [Content Brief]
[2]. Pohl O, et al. Synergistic effects of E2MATE and norethindrone acetate on steroid sulfatase inhibition: a randomized phase I proof-of-principle clinical study in women of reproductive age. Reprod Sci. 2014 Oct;21(10):1256-65. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.8453 mL | 14.2264 mL | 28.4527 mL | 71.1319 mL |
| 5 mM | 0.5691 mL | 2.8453 mL | 5.6905 mL | 14.2264 mL | |
| 10 mM | 0.2845 mL | 1.4226 mL | 2.8453 mL | 7.1132 mL | |
| 15 mM | 0.1897 mL | 0.9484 mL | 1.8968 mL | 4.7421 mL | |
| 20 mM | 0.1423 mL | 0.7113 mL | 1.4226 mL | 3.5566 mL | |
| 25 mM | 0.1138 mL | 0.5691 mL | 1.1381 mL | 2.8453 mL | |
| 30 mM | 0.0948 mL | 0.4742 mL | 0.9484 mL | 2.3711 mL | |
| 40 mM | 0.0711 mL | 0.3557 mL | 0.7113 mL | 1.7783 mL | |
| 50 mM | 0.0569 mL | 0.2845 mL | 0.5691 mL | 1.4226 mL | |
| 60 mM | 0.0474 mL | 0.2371 mL | 0.4742 mL | 1.1855 mL | |
| 80 mM | 0.0356 mL | 0.1778 mL | 0.3557 mL | 0.8891 mL | |
| 100 mM | 0.0285 mL | 0.1423 mL | 0.2845 mL | 0.7113 mL |
Estradiol 3-sulfamate Related Classifications
HY-U00112 Related Classifications
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