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Screening compounds

Ethaselen

Also known as Bbske, Compound eb, Ethaselen-1

CAS 217798-39-5Formula C16H12N2O2Se2Molar mass 422.20 g/mol
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Ethaselen chemical structure, C16H12N2O2Se2, CAS 217798-39-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
217798-39-5
Formula
C16H12N2O2Se2
Molar mass
422.20 g/mol
HS code
293499
Category
Screening compounds

What is Ethaselen?

Plain description, key identifiers and synonyms

Ethaselen is an orally bioavailable organoselenium inhibitor of thioredoxin reductase 1 (TrxR1), with potential antineoplastic activity. Upon oral administration, ethaselen specifically binds to the selenocysteine-cysteine redox pair in the C-terminal active site of TrxR1 and inhibits its activity, which may result in growth inhibition and the induction of apoptosis in TrxR1 overexpressing tumor cells. TrxR1, upregulated in many cancer cell types, plays a key role in various redox-dependent cellular pathways, regulates transcription factor activity, inhibits apoptosis, and promotes cell growth and survival.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
CAS number
217798-39-5
Molecular formula
C16H12N2O2Se2
UNII
4Q2EZS1IWG
InChIKey
SFFSGPCYJCMDJM-UHFFFAOYSA-N
InChI
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
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=O)N([Se]2)CCN3C(=O)C4=CC=CC=C4[Se]3

Synonyms

  • Bbske
  • Compound eb
  • Ethaselen-1
  • Shuang-xi-zuo-wan-1
  • (1,2-bis(1,2-benzisoselenazolone-3(2H)-ketone))ethane
  • BBSKE cpd
  • 1, 2-(Bis (1, 2-Benzisoselenazolone-3 (2H)-Ketone)) Ethane
  • 2-(2-(3-oxo-2,3-dihydro-1,2-benzoselenazol-2-yl)ethyl)-2,3-dihydro-1,2-benzoselenazol-3-one
  • 2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
  • US8592468, EbSe14
  • 1,2-Benzisoselenazol-3(2H)-one, 2,2'-(1,2-ethanediyl)bis-
  • 2,2'-(1,2-Ethanediyl)bis(1,2-benzisoselenazol-3(2H)-one)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
422.20 g/molcalc.
Exact mass
423.9229 Dacalc.
LogP (octanol/water)
1.13calc.
Topological polar surface area
44 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
22calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.13calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1c2ccccc2[se]n1CCn1[se]c2ccccc2c1=O

O=c1c2ccccc2[se]n1CCn1[se]c2ccccc2c1=O

4 rings, 22 atoms. This chemical is the scaffold itself.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Ethaselen suppliers

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Ethaselen price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ethaselen is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Ethaselen is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ethaselen, based on the data on this page

What is Ethaselen?

Ethaselen is an orally bioavailable organoselenium inhibitor of thioredoxin reductase 1 (TrxR1), with potential antineoplastic activity.

What is the CAS number of Ethaselen?

The CAS registry number of Ethaselen is 217798-39-5.

What is the molecular formula and weight of Ethaselen?

The molecular formula of Ethaselen is C16H12N2O2Se2 and its molar mass is 422.20 g/mol.

What is Ethaselen used for?

Known uses and roles of Ethaselen include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Ethaselen hazardous?

No GHS hazard classification for Ethaselen is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Ethaselen?

Ethaselen is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ethaselen?

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What is the price of Ethaselen?

Suppliers quote Ethaselen on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Ethaselen

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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