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LW-216

CAT: 0013-GTR19236405-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236405-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LW-216 is a small molecule inhibitor of thioredoxin reductase 1 (TrxR1) that triggers apoptotic cell death. Its antitumor properties have been demonstrated in both cellular assays and in vivo animal models, supporting its use in cancer research and oncology drug discovery.
CAS Number
2146090-18-6
Field of Research
Cell Biology
Smiles
O=C1C=C (OC2=C (OCCCCN3CCCC3) C (OCC=4C=CC=CC4) =CC (O) =C12) C=5C=CC=CC5
Molecular Formula
C30H31NO5
Molecular Weight
485.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Hydroxy-2-phenyl-7-phenylmethoxy-8-(4-pyrrolidin-1-ylbutoxy)chromen-4-one
CAS Number2146090-18-6
PubChem CID145974849
IUPAC Name5-hydroxy-2-phenyl-7-phenylmethoxy-8-(4-pyrrolidin-1-ylbutoxy)chromen-4-one
Molecular FormulaC30H31NO5
Molecular Weight485.6
XLogP6.1
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity723
SMILES
C1CCN(C1)CCCCOC2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)OCC5=CC=CC=C5
InChI
InChI=1S/C30H31NO5/c32-24-19-26(23-13-5-2-6-14-23)36-30-28(24)25(33)20-27(35-21-22-11-3-1-4-12-22)29(30)34-18-10-9-17-31-15-7-8-16-31/h1-6,11-14,19-20,33H,7-10,15-18,21H2
InChIKey
ZGBDNJJYURKSOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy-2-phenyl-7-phenylmethoxy-8-(4-pyrrolidin-1-ylbutoxy)chromen-4-one
CAS: 2146090-18-6
CID: 145974849
Formula: C30H31NO5
MW: 485.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.6
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass485.22022309
Monoisotopic Mass485.22022309
Topological Polar Surface Area68.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity723
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

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