Ethaselen
Based on 1 Customer Validation
Ethaselen (BBSKE) is an orally active, selective thioredoxin reductase (TrxR) inhibitor with IC50s of 0.5 and 0.35 μM for the wild-type human TrxR1 and rat TrxR1, respectively. Ethaselen specifically binds to the unique selenocysteine-cysteine redox pair in the C-terminal active site of mammalian TrxR1. Ethaselen, an organoselenium compound, is a potent antitumor candidate that exerts potent inhibition on non-small cell lung cancer (NSCLC) by targeting TrxR.
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- Pureza: 98.0%
- No. CAS: 217798-39-5
- Fòrmula: C16H12N2O2Se2
- Peso molecular:422.20
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
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Orally Active Compound Library
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Actividad biológica
TrxR[1]
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| 184B5 | GI50 |
19.2 μM
Compound: BBSKE
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Antiproliferative activity against human 184B5 cells after 72 hrs by MTT assay
Antiproliferative activity against human 184B5 cells after 72 hrs by MTT assay
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[PMID: 30071406] |
| A549 | IC50 |
3.26 μM
Compound: Ethaselen
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Antiproliferative activity against human A549 cells after 48 hrs by CCK8 assay
Antiproliferative activity against human A549 cells after 48 hrs by CCK8 assay
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[PMID: 26786698] |
| BEAS-2B | GI50 |
20.6 μM
Compound: BBSKE
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Antiproliferative activity against human BEAS2B cells after 72 hrs by MTT assay
Antiproliferative activity against human BEAS2B cells after 72 hrs by MTT assay
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[PMID: 30071406] |
| Calu-1 | GI50 |
19.7 μM
Compound: BBSKE
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Antiproliferative activity against human HTB-54 cells after 72 hrs by MTT assay
Antiproliferative activity against human HTB-54 cells after 72 hrs by MTT assay
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[PMID: 30071406] |
| CCRF-CEM | GI50 |
5 μM
Compound: BBSKE
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Antiproliferative activity against human CCRF-CEM cells after 72 hrs by MTT assay
Antiproliferative activity against human CCRF-CEM cells after 72 hrs by MTT assay
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[PMID: 30071406] |
| DU-145 | IC50 |
15.45 μM
Compound: 63
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Anticancer activity against human DU-145 cells assessed as cell growth inhibition incubated for 24 to 96 hrs by MTT assay
Anticancer activity against human DU-145 cells assessed as cell growth inhibition incubated for 24 to 96 hrs by MTT assay
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[PMID: 34217061] |
| HeLa | IC50 |
15.86 μM
Compound: Ethaselen
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Antiproliferative activity against human HeLa cells after 48 hrs by CCK8 assay
Antiproliferative activity against human HeLa cells after 48 hrs by CCK8 assay
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[PMID: 26786698] |
| HT-29 | GI50 |
20.3 μM
Compound: BBSKE
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Antiproliferative activity against human HT-29 cells after 72 hrs by MTT assay
Antiproliferative activity against human HT-29 cells after 72 hrs by MTT assay
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[PMID: 30071406] |
| L929 | IC50 |
>50 μM
Compound: Ethaselen
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Antiproliferative activity against mouse L929 cells after 48 hrs by CCK8 assay
Antiproliferative activity against mouse L929 cells after 48 hrs by CCK8 assay
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[PMID: 26786698] |
| LoVo | IC50 |
7.67 μM
Compound: 4a, BBSKE, Ethaselen
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Growth inhibition of human LoVo cells after 48 hrs by MTT assay
Growth inhibition of human LoVo cells after 48 hrs by MTT assay
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[PMID: 22579620] |
| MCF7 | GI50 |
24.2 μM
Compound: BBSKE
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Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay
Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay
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[PMID: 30071406] |
| MIA PaCa-2 | IC50 |
3.79 μM
Compound: 4a, BBSKE, Ethaselen
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Growth inhibition of human MIAPaCa2 cells after 48 hrs by MTT assay
Growth inhibition of human MIAPaCa2 cells after 48 hrs by MTT assay
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[PMID: 22579620] |
| PC-3 | GI50 |
24.8 μM
Compound: BBSKE
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Antiproliferative activity against human PC3 cells after 72 hrs by MTT assay
Antiproliferative activity against human PC3 cells after 72 hrs by MTT assay
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[PMID: 30071406] |
| PC-3 | IC50 |
17.81 μM
Compound: 63
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Anticancer activity against human PC-3 cells assessed as cell growth inhibition incubated for 24 to 96 hrs by MTT assay
Anticancer activity against human PC-3 cells assessed as cell growth inhibition incubated for 24 to 96 hrs by MTT assay
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[PMID: 34217061] |
| SMMC-7721 | IC50 |
10.68 μM
Compound: Ethaselen
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Antiproliferative activity against human SMMC7721 cells after 48 hrs by CCK8 assay
Antiproliferative activity against human SMMC7721 cells after 48 hrs by CCK8 assay
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[PMID: 26786698] |
| U-87MG ATCC | IC50 |
5 μM
Compound: 4a, BBSKE, Ethaselen
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Inhibition of TrxR in human U87MG cells after 12 hrs by insulin-reducing method
Inhibition of TrxR in human U87MG cells after 12 hrs by insulin-reducing method
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[PMID: 22579620] |
| U-87MG ATCC | IC50 |
6.41 μM
Compound: 4a, BBSKE, Ethaselen
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Growth inhibition of human U87MG cells after 48 hrs by MTT assay
Growth inhibition of human U87MG cells after 48 hrs by MTT assay
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[PMID: 22579620] |
Ethaselen (2.5-10 μM; 12, 24 hours) suppresses A549 cell viability in a both concentration- and time-dependent manner. H1666, which has considerably lower TrxR1 expression level, is less susceptible to 24 h treatment with Ethaselen[1].
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Ethaselen inhibits the intracellular TrxR1 activity in a concentration- and time-dependent manner, with IC50 values of 4.2 and 2 μM for 12- and 24-h treatments, respectively[1].
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Ethaselen (2.5-10 μM; 12, 24 hours) has no effect on the protein amounts of TrxR1 and Trx. The mRNA level of TrxR1 does not show significant alteration in Ethaselen-treated A549 cells[1].
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Ethaselen (2.5-50 μM; 1-24 hours) causes intracellular Trx oxidation in A549 cells[1].
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Ethaselen (5-10 μM; 12, 24 hours) causes a clear concentration-dependent increase in ROS levels in A549 cells[1].
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The inhibition constants for Ethaselen binding to free enzyme (Ki) and the enzyme-substrate complex (Kis) were determined to be 0.022 and 0.087 μM, respectively. Ethaselen also inhibits mammalian TrxR1 in a time-dependent manner possibly by forming a covalent Se-S bond with Cys497 of Trx[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:A549 cell
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Concentration:2.5, 5, 7.5, 10 μM
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Incubation Time:12, 24 hours
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Result:Suppressed A549 cell viability in a both concentration- and time-dependent manner.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Five-week-old female BALB/c nude mice with A549 cell[2]
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Dosage:36, 72, 108 mg/kg
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Administration:PO; daily; for 10 days
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Result:Showed increased inhibition of tumor growth, and the inhibition levels increased with the dose.
The TrxR activity levels of the high dose group (108 mg/kg) decreased more than the middle dose group (72 mg/kg) and low dose group (36 mg/kg).
| NCT Number | Sponsor | Condition | Start Date |
Phase
|
|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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No. CAS 217798-39-5
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Appearance Solid
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Peso molecular 422.20
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Fòrmula C16H12N2O2Se2
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Color Light yellow to yellow
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SMILES
O=C1N([Se]C2=CC=CC=C12)CCN3[Se]C4=CC=CC=C4C3=O
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Synonyms
BBSKE
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvente y solubilidad
DMSO : 12.5 mg/mL (29.61 mM; ultrasonic and warming and heat to 60°C; 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, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
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, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
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.
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.
Pureza y Documentación
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Ficha de datos (276 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Instrucciones de manejo (2659 KB)
Referencias
[1]. Lihui Wang, et al. Ethaselen: a potent mammalian thioredoxin reductase 1 inhibitor and novel organoselenium anticancer agent. Free Radic Biol Med. 2012 Mar 1;52(5):898-908. [Content Brief]
[2]. Suo-Fu Ye, et al. Dose-biomarker-response modeling of the anticancer effect of ethaselen in a human non-small cell lung cancer xenograft mouse model. Acta Pharmacol Sin. 2017 Feb;38(2):223-232. [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, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.3685 mL | 11.8427 mL | 23.6855 mL | 59.2136 mL |
| 5 mM | 0.4737 mL | 2.3685 mL | 4.7371 mL | 11.8427 mL | |
| 10 mM | 0.2369 mL | 1.1843 mL | 2.3685 mL | 5.9214 mL | |
| 15 mM | 0.1579 mL | 0.7895 mL | 1.5790 mL | 3.9476 mL | |
| 20 mM | 0.1184 mL | 0.5921 mL | 1.1843 mL | 2.9607 mL | |
| 25 mM | 0.0947 mL | 0.4737 mL | 0.9474 mL | 2.3685 mL |
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