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GPX4-IN-13

CAT: 0804-HY-163995-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-163995-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GPX4-IN-13 (compound 16) is a GPX4 inhibitor with anticancer activity. GPX4-IN-13 reduces thyroid cell proliferation and induces ferroptosis by inhibiting the expression level of GPX4. GPX4-IN-13 inhibits the growth of three thyroid cancer cell lines: N-thy-ori-3-1 (IC50=8.39 μM), MDA-T32 (IC50=10.28 μM) and MDA-T41 (IC50=8.18 μM).
CAS Number
2644044-43-7
UNSPSC
12352005
Target
Ferroptosis; Glutathione Peroxidase
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/gpx4-in-13.html
Smiles
O=C(C1=CC=C(C=C1)C#N)/C=C/C(C=CC=C2)=C2OC3=C(C=CC=C3)C=O
Molecular Formula
C23H15NO3
Molecular Weight
353.37
References & Citations
[1]Pamarthy, et al. "Diaryl ether derivative inhibits GPX4 expression levels to induce ferroptosis in thyroid cancer cells." Drug Development Research 84.5 (2023) : 861-887.
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

Gpx4-IN-13
CAS Number2644044-43-7
PubChem CID172052304
IUPAC Name4-[(E)-3-[2-(2-formylphenoxy)phenyl]prop-2-enoyl]benzonitrile
Molecular FormulaC23H15NO3
Molecular Weight353.4
XLogP4.4
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity582
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)C#N)OC3=CC=CC=C3C=O
InChI
InChI=1S/C23H15NO3/c24-15-17-9-11-18(12-10-17)21(26)14-13-19-5-1-3-7-22(19)27-23-8-4-2-6-20(23)16-25/h1-14,16H/b14-13+
InChIKey
UNQJNKUGIZRZER-BUHFOSPRSA-N
Chemical Structure
2D Structure
2D structure of Gpx4-IN-13
CAS: 2644044-43-7
CID: 172052304
Formula: C23H15NO3
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass353.10519334
Monoisotopic Mass353.10519334
Topological Polar Surface Area67.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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