Ethaselen (Synonyms: BBSKE)

Name: Ethaselen
Brand: MedChemExpress
SKU: HY-116749
Rating: 4.5 (1 reviews)

Cat. No.: HY-116749 Purity: ≥98.0%: FAQs
Data Sheet SDS COA Handling Instructions

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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.

For research use only. We do not sell to patients.

Ethaselen Chemical Structure

CAS No. : 217798-39-5

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 330	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 330	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 300	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 490	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 980	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 1500	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 2400	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Based on 1 publication(s) in Google Scholar

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References
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Description

IC₅₀ & Target

TrxR^[1]

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	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]
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]
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

Molecular Weight

422.20

Formula

C₁₆H₁₂N₂O₂Se₂

CAS No.

217798-39-5

Appearance

Solid

Color

Light yellow to yellow

SMILES

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

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Solvent & Solubility

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)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

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

View the 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.

Molarity Calculator
Dilution Calculator

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

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

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.

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

mg/kg

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(per animal)

Dosing volume
(per animal)

μL

Number of animals

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

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

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

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).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

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

Purity: ≥98.0%

Select Batch:

Data Sheet (276 KB) SDS (251 KB)

COA (250 KB) HNMR (248 KB)

Handling Instructions (2659 KB)

References

[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

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

Ethaselen Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Ethaselen217798-39-5BBSKETrxRThioredoxin ReductaseorallythioredoxinreductaseTrxR1selenocysteine-cysteineredoxC-terminalorganoseleniumNSCLCA549H1666Inhibitorinhibitorinhibit

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Ethaselen (Synonyms: BBSKE)

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