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GPX4-IN-12

CAT: 0804-HY-162718Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-162718Size:1 Each
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Description
GPX4-IN-12 (compound I22) is a non-covalent GPX4 inhibitor. GPX4-IN-12 induces ferroptosis and inhibits cell growth of HT1080 cells[1].
CAS Number
931704-14-2
UNSPSC
12352005
Target
Ferroptosis
Type
Reference compound
Related Pathways
Apoptosis
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/gpx4-in-12.html
Smiles
N#CC1=C(NCCCN2C=CN=C2)OC(C3=CC=C(O3)COC4=CC=CC=C4)=N1
Molecular Formula
C21H19N5O3
Molecular Weight
389.41
References & Citations
[1]Huang W, et al. Ferroptosis-inducing compounds synergize with docetaxel to overcome chemoresistance in docetaxel-resistant non-small cell lung cancer cells. Eur J Med Chem. 2024 Jul 10;276:116670.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
CAS Number931704-14-2
PubChem CID23610799
IUPAC Name5-(3-imidazol-1-ylpropylamino)-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
Molecular FormulaC21H19N5O3
Molecular Weight389.4
XLogP3.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity550
SMILES
C1=CC=C(C=C1)OCC2=CC=C(O2)C3=NC(=C(O3)NCCCN4C=CN=C4)C#N
InChI
InChI=1S/C21H19N5O3/c22-13-18-20(24-9-4-11-26-12-10-23-15-26)29-21(25-18)19-8-7-17(28-19)14-27-16-5-2-1-3-6-16/h1-3,5-8,10,12,15,24H,4,9,11,14H2
InChIKey
FGWJZHXATWRJIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
CAS: 931704-14-2
CID: 23610799
Formula: C21H19N5O3
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass389.14878949
Monoisotopic Mass389.14878949
Topological Polar Surface Area102 Ų
Heavy Atom Count29
Formal Charge0
Complexity550
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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