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=C1C=CC=C4
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
| Molecular Formula | C16H12N2O2Se2 |
| Molecular Weight | 422.2 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 22:52:08 GMT 2025
by
admin
on
Tue Apr 01 22:52:08 GMT 2025
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| Record UNII |
4Q2EZS1IWG
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C471
Created by
admin on Tue Apr 01 22:52:08 GMT 2025 , Edited by admin on Tue Apr 01 22:52:08 GMT 2025
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| Code System | Code | Type | Description | ||
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217798-39-5
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admin on Tue Apr 01 22:52:08 GMT 2025 , Edited by admin on Tue Apr 01 22:52:08 GMT 2025
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C116713
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admin on Tue Apr 01 22:52:08 GMT 2025 , Edited by admin on Tue Apr 01 22:52:08 GMT 2025
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4Q2EZS1IWG
Created by
admin on Tue Apr 01 22:52:08 GMT 2025 , Edited by admin on Tue Apr 01 22:52:08 GMT 2025
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10387485
Created by
admin on Tue Apr 01 22:52:08 GMT 2025 , Edited by admin on Tue Apr 01 22:52:08 GMT 2025
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DB15051
Created by
admin on Tue Apr 01 22:52:08 GMT 2025 , Edited by admin on Tue Apr 01 22:52:08 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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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