Art. -Nr.: HY-116749

Ethaselen

(Synonyms: BBSKE)

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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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Reinheit: 98.0%
CAS. Nr.: 217798-39-5
Formel: C₁₆H₁₂N₂O₂Se₂
Molecular Weight:422.20

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

Ethaselen Chemical Structure

CAS. Nr.: 217798-39-5

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

TrxR^[1]

Alle TrxR Isoform-spezifische Produkte anzeigen :

TrxR1
TrxR2

Cellular Effect

Cell Line	Type	Value	Description	References
184B5	GI₅₀	19.2 μM Compound: BBSKE	Antiproliferative activity against human 184B5 cells after 72 hrs by MTT assay Antiproliferative activity against human 184B5 cells after 72 hrs by MTT assay	[PMID: 30071406]
A549	IC₅₀	3.26 μM Compound: Ethaselen	Antiproliferative activity against human A549 cells after 48 hrs by CCK8 assay Antiproliferative activity against human A549 cells after 48 hrs by CCK8 assay	[PMID: 26786698]
BEAS-2B	GI₅₀	20.6 μM Compound: BBSKE	Antiproliferative activity against human BEAS2B cells after 72 hrs by MTT assay Antiproliferative activity against human BEAS2B cells after 72 hrs by MTT assay	[PMID: 30071406]
Calu-1	GI₅₀	19.7 μM Compound: BBSKE	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	[PMID: 30071406]
CCRF-CEM	GI₅₀	5 μM Compound: BBSKE	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	[PMID: 30071406]
DU-145	IC₅₀	15.45 μM Compound: 63	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	[PMID: 34217061]
HeLa	IC₅₀	15.86 μM Compound: Ethaselen	Antiproliferative activity against human HeLa cells after 48 hrs by CCK8 assay Antiproliferative activity against human HeLa cells after 48 hrs by CCK8 assay	[PMID: 26786698]
HT-29	GI₅₀	20.3 μM Compound: BBSKE	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	[PMID: 30071406]
L929	IC₅₀	>50 μM Compound: Ethaselen	Antiproliferative activity against mouse L929 cells after 48 hrs by CCK8 assay Antiproliferative activity against mouse L929 cells after 48 hrs by CCK8 assay	[PMID: 26786698]
LoVo	IC₅₀	7.67 μM Compound: 4a, BBSKE, Ethaselen	Growth inhibition of human LoVo cells after 48 hrs by MTT assay Growth inhibition of human LoVo cells after 48 hrs by MTT assay	[PMID: 22579620]
MCF7	GI₅₀	24.2 μM Compound: BBSKE	Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay	[PMID: 30071406]
MIA PaCa-2	IC₅₀	3.79 μM Compound: 4a, BBSKE, Ethaselen	Growth inhibition of human MIAPaCa2 cells after 48 hrs by MTT assay Growth inhibition of human MIAPaCa2 cells after 48 hrs by MTT assay	[PMID: 22579620]
PC-3	GI₅₀	24.8 μM Compound: BBSKE	Antiproliferative activity against human PC3 cells after 72 hrs by MTT assay Antiproliferative activity against human PC3 cells after 72 hrs by MTT assay	[PMID: 30071406]
PC-3	IC₅₀	17.81 μM Compound: 63	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	[PMID: 34217061]
SMMC-7721	IC₅₀	10.68 μM Compound: Ethaselen	Antiproliferative activity against human SMMC7721 cells after 48 hrs by CCK8 assay Antiproliferative activity against human SMMC7721 cells after 48 hrs by CCK8 assay	[PMID: 26786698]
U-87MG ATCC	IC₅₀	5 μM Compound: 4a, BBSKE, Ethaselen	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	[PMID: 22579620]
U-87MG ATCC	IC₅₀	6.41 μM Compound: 4a, BBSKE, Ethaselen	Growth inhibition of human U87MG cells after 48 hrs by MTT assay Growth inhibition of human U87MG cells after 48 hrs by MTT assay	[PMID: 22579620]

In Vitro

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].
? 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].
? 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].
? Ethaselen (2.5-50 μM; 1-24 hours) causes intracellular Trx oxidation in A549 cells^[1].
? Ethaselen (5-10 μM; 12, 24 hours) causes a clear concentration-dependent increase in ROS levels in A549 cells^[1].
? The inhibition constants for Ethaselen binding to free enzyme (K_i) and the enzyme-substrate complex (K_is) 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.

Cell Viability Assay^[1]

Cell Line:

A549 cell
Concentration:

2.5, 5, 7.5, 10 μM
Incubation Time:

12, 24 hours
Result:

Suppressed A549 cell viability in a both concentration- and time-dependent manner.

In Vivo

Ethaselen?(BBSKE; 36-108 mg/kg/day; PO; for 10 days) shows increased inhibition of tumor growth in a dose-independent manner^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

Five-week-old female BALB/c nude mice with A549 cell^[2]
Dosage:

36, 72, 108 mg/kg
Administration:

PO; daily; for 10 days
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).

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS. Nr. 217798-39-5
Appearance Solid
Molecular Weight 422.20
Formel C₁₆H₁₂N₂O₂Se₂
Color Light yellow to yellow
SMILES

O=C1N([Se]C2=CC=CC=C12)CCN3[Se]C4=CC=CC=C4C3=O
Synonyms

BBSKE
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Lösungsmittel & Löslichkeit

In Vitro:

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)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.3685 mL

11.8427 mL

23.6855 mL

5 mM

0.4737 mL

2.3685 mL

4.7371 mL

10 mM

0.2369 mL

1.1843 mL

2.3685 mL

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.

Molaritätsrechner

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

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.

Protocol 1

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 1.25 mg/mL (2.96 mM); Clear solution

This protocol yields a clear solution of ≥ 1.25 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (12.5 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
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

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (276 KB)
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)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[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]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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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Ethaselen

Metabolism/Protease Compound Library

Anti-Cancer Compound Library

Clinical Compound Library

Orally Active Compound Library

Anti-Lung Cancer Compound Library

Metabolic Enzyme Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Clinical Compound Library Plus

Bioactive Compound Library

High-Throughput Bioactive Compound Library

RNA Binding Bioactive Compound Library

Alle TrxR Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Ethaselen

Metabolism/Protease Compound Library

Anti-Cancer Compound Library

Clinical Compound Library

Orally Active Compound Library

Anti-Lung Cancer Compound Library

Metabolic Enzyme Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Clinical Compound Library Plus

Bioactive Compound Library

High-Throughput Bioactive Compound Library

RNA Binding Bioactive Compound Library

Alle TrxR Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Ethaselen Related Classifications

HY-116749 Related Classifications