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PKUMDL-LC-101-D04

CAT: 0931-T36935-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36935-01Size:1 mg
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CAS Number
2143896-83-5
Target
GPX, Glutathione Peroxidase
Related Pathways
Oxidation-Reduction, Metabolism
Purity
0.9965
Bioactivity
PKUMDL-LC-101-D04 is a potent allosteric activator of glutathione peroxidase 4 (GPX4), a regulator of ferroptosis. GPX4 activity was increased to 150% of control levels when used at a concentration of 20 μM in a cell-free assay, and at a concentration of 61 μM in wild-type, but not Gpx4-/-, mouse embryonic fibroblast (MEF) extracts.PKUMDL-LC-101-D04 (200 μM) reduced cholesterol peroxide-induced MEF death.
Smiles
Cl.NCCNS(=O)(=O)c1ccc(NC(=S)NC2CCCC2)cc1
Molecular Formula
C14H23ClN4O2S2
Molecular Weight
378.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
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