ETHASELEN

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H12N2O2Se2
Molecular Weight	422.2
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

O=C1N(CCN2[Se]C3=C(C=CC=C3)C2=O)[Se]C4=CC=CC=C14

InChI

InChIKey=SFFSGPCYJCMDJM-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C16H12N2O2Se2
Molecular Weight	422.2
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical
Record UNII	4Q2EZS1IWG
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

ETHASELEN

Common Name

English

2,2'-(1,2-ETHANEDIYL)BIS(1,2-BENZISOSELENAZOL-3(2H)-ONE)

Systematic Name

English

COMPOUND EB

Common Name

English

BBSKE

Common Name

English

ETHASELEN-1

Common Name

English

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Classification Tree

Code System

Code

Pharmacologic Substance

NCI_THESAURUS

C471

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Code System

Code

Type

Description

CAS

217798-39-5

PRIMARY

NCI_THESAURUS

C116713

PRIMARY

FDA UNII

4Q2EZS1IWG

PRIMARY

PUBCHEM

10387485

PRIMARY

DRUG BANK

DB15051

PRIMARY

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Related Record

Type

Details


					4Q2EZS1IWG

ETHASELEN

ACTIVE MOIETY

Comments:

Mammalian thioredoxin reductase 1 (TrxR1) is considered to be an important anticancer drug target and to be involved in both carcinogenesis and cancer progression. Ethaselen was found to be a potent inhibitor rather than an efficient substrate of mammalian TrxR1. It effectively inhibits wild-type mammalian TrxR1 at submicromolar concentrations with an initial mixed-type inhibition pattern. By using recombinant human TrxR1 variants and human glutathione reductase, we prove that ethaselen specifically targets the C-terminal but not the N-terminal active site of mammalian TrxR1. In A549 human lung cancer cells, ethaselen significantly suppresses cell viability in parallel with direct inhibition of TrxR1 activity.

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