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Ethaselen - Moligand™, ≥98% , CAS No.217798-39-5

CAS: 217798-39-5 Cat. No.: E651838 Peso molecular: 422.20 PubChem CID: 10387485
COA
Ethaselen - Moligand™, ≥98% CAS No(217798-39-5) by Aladdin Scientific
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
1,2-Benzisoselenazol-3(2H)-one, 2,2'-(1,2-ethanediyl)bis- | ethaselen | UNII-4Q2EZS1IWG | EX-A5107 | 2,2'-(1,2-ETHANEDIYL)BIS(1,2-BENZISOSELENAZOL-3(2H)-ONE) | HY-116749 | Compound eb | SCHEMBL3561403 | 4Q2EZS1IWG | (1,2-bis(1,2-benzisoselenazolone-3(2H)-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
E651838-1mg
5
199,90US$
5mg
E651838-5mg
3
495,90US$
25mg
E651838-25mg
3
1.275,90US$
100mg
E651838-100mg
1
2.319,90US$
Enter a quantity for the sizes you want to add.
Bulk / Custom
♡ Lista de deseos ⇅ Añadir para comparar ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Descripción general Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas
🧪

Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Ethaselen (BBSKE) is a 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.

Specifications

Sinónimos
1, 2-Benzisoselenazol-3(2H)-one, 2, 2'-(1, 2-ethanediyl)bis- | ethaselen | UNII-4Q2EZS1IWG | EX-A5107 | 2, 2'-(1, 2-ETHANEDIYL)BIS(1, 2-BENZISOSELENAZOL-3(2H)-ONE) | HY-116749 | Compound eb | SCHEMBL3561403 | 4Q2EZS1IWG | (1, 2-bis(1, 2-benzisoselenazolone-3(2H)-
Especificaciones y pureza
Moligand™, ≥98%
Mecanismos bioquímicos y fisiológicos
Ethaselen (BBSKE) is an orally active, selective thioredoxin reductase (TrxR) inhibitor with IC 50 s 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 pai
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC1=CC=C2C(=C1)C(=O)N([Se]2)CCN3C(=O)C4=CC=CC=C4[Se]3
IUPAC Name2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
InChIKeySFFSGPCYJCMDJM-UHFFFAOYSA-N
INCHI1S/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
Isómeros SMILES C1=CC=C2C(=C1)C(=O)N([Se]2)CCN3C(=O)C4=CC=CC=C4[Se]3
CAS alternativo 217798-39-5
PubChem CID 10387485
Términos de entrada MeSH (1,2-bis(1,2-benzisoselenazolone-3(2H)-ketone))ethane;BBSKE cpd;ethaselen
Peso molecular 422.20

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseNot available
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzenoids
Alternative Parents Selenazoles  Heteroaromatic compounds  Lactams  Azacyclic compounds  Organoselenium compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzenoid - Heteroaromatic compound - 1,2-selenazole - Azole - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organoselenium compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
GSR Tclin Glutathione reductase (335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Calu-1 (518 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LoVo (4724 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
184B5 (172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BEAS-2B (690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
L929 (3802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRXR Thioredoxin reductase (20 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeFechaArticulo
H2521407Certificate of AnalysisMay 24, 2025 E651838
H2521408Certificate of AnalysisMay 24, 2025 E651838
H2521415Certificate of AnalysisMay 24, 2025 E651838
H2521416Certificate of AnalysisMay 24, 2025 E651838
Propiedades químicas y físicas
SolubilidadDMSO : 12.5 mg/mL (29.61 mM; ultrasonic and warming and heat to 60°C)
Peso molecular422.200 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass423.923 Da
Monoisotopic Mass423.923 Da
Topological Polar Surface Area40.600 Ų
Heavy Atom Count22
Formal Charge0
Complexity431.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

Reseñas de cliente

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →
Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

View related series

Metabolic Enzyme/Protease (4867) Nucleic Acid Metabolism (946) TrxR (6)

Artículos relacionados

Ethaselen - 10mM in DMSO , CAS No.217798-39-5
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