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Ethaselen

CAT: 0931-T39664-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T39664-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
217798-39-5
Target
Reductase
Related Pathways
Endocrinology/Hormones, Metabolism
Purity
0.9914
Bioactivity
Ethaselen (BBSKE) is an orally active and selective thioredoxin reductase 1 (TrxR) inhibitor with anticancer activity that directly inhibits TrxR1 activity and is commonly used in combination with oxaliplatin to inhibit tumor growth.Ethaselen induces apoptosis in cancer cells and inhibits the proliferation of colorectal cancer cells.
Smiles
O=C1C=2C=CC=CC2[Se]N1CCN3[Se]C=4C=CC=CC4C3=O
Molecular Formula
C16H12N2O2Se2
Molecular Weight
422.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethaselen

Ethaselen is under investigation in clinical trial NCT02166242 (Ethaselen for the Treatment of Thioredoxin Reductase High Expression Advanced Non-small Cell Lung Cancers).

CAS Number217798-39-5
PubChem CID10387485
IUPAC Name2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
Molecular FormulaC16H12N2O2Se2
Molecular Weight422.2
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity431
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)CCN3C(=O)C4=CC=CC=C4[Se]3
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
InChIKey
SFFSGPCYJCMDJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethaselen
CAS: 217798-39-5
CID: 10387485
Formula: C16H12N2O2Se2
MW: 422.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass423.92292
Monoisotopic Mass423.92292
Topological Polar Surface Area40.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8373-10Ethaselen

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