| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
Ethaselen targets thioredoxin reductase 1 (TrxR1). It is a selective inhibitor of TrxR1, with IC50 values of 0.5 µM for wild-type human TrxR1 and 0.35 µM for rat TrxR1. It specifically binds to the unique selenocysteine-cysteine redox pair in the C-terminal active site of mammalian TrxR1. By inhibiting TrxR1, it disrupts cellular redox balance and induces oxidative stress, leading to apoptosis in cancer cells. It is an organoselenium compound.
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| ln Vitro |
A549 cell viability is inhibited by ethaselen (2.5-10 μM; 12-24 hours) in a concentration- and time-dependent manner. H1666 responds less well to a 24-hour Ethaselen therapy and has a relatively low TrxR1 expression level [1]. The activity of TrxR1 in cells is inhibited by the inhibition approach; the IC50 values after 12 and 24 hours of treatment are 4.2 and 2 μM, respectively [1]. Ethaselen (2.5–10 μM; 12–24 hours) has no effect on TrxR1 and Trx protein levels. TrxR1 mRNA level in A549 cells treated with ethaselen did not change significantly [1]. In A549 cells, ethaselen (2.5–50 μM; 1–24 hours) induces intracellular Trx oxidation [1]. 12, 24 hours) significantly increased the amount of ROS in A549 cells in a concentration-dependent manner [1]. The enzyme's free and substrate complex inhibitory concentrations (Kis) for ethaselen are 0.022 and 0.087 μM, respectively. Moreover, etaselen has the ability to create a time-dependent covalent Se-S bond with Trx's Cys497 to prevent TrxR1 from being occupied [1].
In vitro, Ethaselen is a potent inhibitor of TrxR1. It induces apoptosis in cancer cells and inhibits the proliferation of colorectal cancer cells. It is an effective antitumor candidate. The compound's activity is due to its ability to inhibit TrxR1 and disrupt the thioredoxin system. It is used in research to study the role of redox regulation in cancer. It shows potent activity against NSCLC cell lines. |
| ln Vivo |
In a dose-dependent manner, ethaselen (BBSKE; 36-108 mg/kg/day; sidewall for 10 days) promotes the suppression of tumor growth [2].
In vivo, Ethaselen is an orally bioavailable agent. It has shown antitumor activity in preclinical models. It is a potentially promising agent for the treatment of patients with NSCLC. It is commonly used in combination with oxaliplatin to inhibit tumor growth. Its ability to inhibit TrxR1 and induce apoptosis makes it a valuable tool for studying cancer therapy. |
| Enzyme Assay |
The in vitro enzyme assay for Ethaselen involves measuring TrxR1 activity. The enzyme is incubated with varying concentrations of Ethaselen (0.01-10 µM) in the presence of NADPH and a substrate such as DTNB. The reduction of DTNB is measured spectrophotometrically, and the IC50 is determined from dose-response curves. The compound's selectivity can be assessed by testing against other related enzymes. Cell-based assays measure the inhibition of TrxR1 activity in cell lysates.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: A549 cell Tested Concentrations: 2.5, 5, 7.5, 10 μM Incubation Duration: 12, 24 hrs (hours) Experimental Results: Inhibits A549 cell viability in a concentration- and time-dependent manner. In vitro cellular assays for Ethaselen use various cancer cell lines, including NSCLC and colorectal cancer cells. Cells are treated with the compound at concentrations of 0.1-100 µM for 24-72 hours. Cell viability is assessed using MTT or CCK-8 assays. Apoptosis is evaluated using caspase-3/7 activity assays and Annexin V staining. TrxR1 activity is measured in cell lysates. Oxidative stress is assessed by measuring ROS levels. These assays help characterize the compound's anticancer mechanism. |
| Animal Protocol |
Animal/Disease Models: 5weeks old female BALB/c nude mice A549 cells [2]
Doses: 36, 72, 108 mg/kg Route of Administration: oral; daily; 10 days Experimental Results: demonstrated enhanced inhibitory effect on tumor growth , and the level of inhibition increases with increasing dose. The TrxR activity level in the high-dose group (108 mg/kg) diminished more than that in the mid-dose group (72 mg/kg) and low-dose group (36 mg/kg). In vivo animal studies for Ethaselen involve mouse xenograft models using human cancer cell lines. Tumor-bearing mice are treated with the compound via oral gavage at doses of 1-50 mg/kg daily or on a scheduled basis. Tumor volume is measured regularly. The compound's efficacy as a single agent or in combination with oxaliplatin is assessed. TrxR1 inhibition in tumor tissues is confirmed by measuring enzyme activity. |
| ADME/Pharmacokinetics |
Ethaselen has a molecular weight of 422.20 and a molecular formula of C16H12N2O2Se2. It is an orally bioavailable TrxR1 inhibitor. It has potential antineoplastic activity. The compound is a research tool and is not for human therapeutic use.
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| References |
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| Additional Infomation |
Ethaselen is being investigated in the clinical trial NCT02166242 (Ethaselen for Advanced Non-Small Cell Lung Cancer with High Expression of Thioredoxin Reductase). Ethaselen is an orally bioavailable organoselenium thioreductase 1 (TrxR1) inhibitor with potential antitumor activity. After oral administration, ethaselen specifically binds to the selenocysteine-cysteine redox pair at the C-terminal active site of TrxR1, inhibiting its activity and thereby suppressing the growth of TrxR1-overexpressing tumor cells and inducing apoptosis. TrxR1 is highly expressed in various cancer cell types and plays a crucial role in multiple redox-dependent cellular pathways, regulating transcription factor activity, inhibiting apoptosis, and promoting cell growth and survival.
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| Molecular Formula |
C16H12N2O2SE2
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| Molecular Weight |
422.2
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| Exact Mass |
423.922
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| CAS # |
217798-39-5
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| PubChem CID |
10387485
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| Appearance |
Light yellow to yellow solid powder
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| Boiling Point |
580.5±60.0 °C at 760 mmHg
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| Flash Point |
304.9±32.9 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
22
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| Complexity |
431
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
SFFSGPCYJCMDJM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2
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| Chemical Name |
2,2'-(ethane-1,2-diyl)bis(benzo[d][1,2]selenazol-3(2H)-one) .
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| Synonyms |
BBSKE EB Ethaselen
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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 : ~12.5 mg/mL (~29.61 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.96 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 12.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 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 |
*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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