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PKUMDL-LC-101-D04

CAT: 0957-E4677-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0957-E4677-1gSize:1 g
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CAS Number
2143896-83-5
Synonyms
GPX4-Activator-1d4
Target
Peroxidases
Applications
Metabolism
Molecular Formula
C14H22N4O2S2.ClH
Additionnal Information
PKUMDL-LC-101-D04 (GPX4-Activator-1d4) is a potent allosteric activator of Glutathione peroxidase 4 (GPX4) effectively suppressing ferroptosis and inflammation. It enhances GPX4 activity by 150% at 20 μM in a cell-free assay and 61 μM in cell extracts, also providing protection against cholesterol hydroperoxide (ChOOH) -induced damage.

Chemical Information

Pkumdl-LC-101-D04
CAS Number2143896-83-5
PubChem CID155543553
IUPAC Name1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylthiourea;hydrochloride
Molecular FormulaC14H23ClN4O2S2
Molecular Weight378.9
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity450
SMILES
C1CCC(C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCN.Cl
InChI
InChI=1S/C14H22N4O2S2.ClH/c15-9-10-16-22(19,20)13-7-5-12(6-8-13)18-14(21)17-11-3-1-2-4-11;/h5-8,11,16H,1-4,9-10,15H2,(H2,17,18,21);1H
InChIKey
FELDRJSFLBINQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pkumdl-LC-101-D04
CAS: 2143896-83-5
CID: 155543553
Formula: C14H23ClN4O2S2
MW: 378.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass378.0950960
Monoisotopic Mass378.0950960
Topological Polar Surface Area137 Ų
Heavy Atom Count23
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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