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JKE-1674

CAT: 0013-GTR19170918-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170918-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JKE-1674 is a bioactive, orally available GPX4 inhibitor and the active metabolite of ML-210. It induces ferroptosis, as demonstrated by its cytotoxicity in LOX-IMVI cells, which is specifically blocked by ferroptosis inhibitors. This compound is a valuable tool for investigating ferroptosis mechanisms in both cellular and animal models.
CAS Number
2421119-60-8
Product Name Alternative
JKE 1674, JKE1674, JKE-1674, inhibit, ML210, glutathione, Glutathione Peroxidase, Gpx4, Ferroptosis, Inhibitor, peroxidase, rescued
Field of Research
Cell Biology, Metabolism Research
Purity
97.12% (May vary between batches)
Solubility
DMSO:140 mg/mL (310.21 mM)
Smiles
O\N=C (/C[N+] ([O-]) =O) C (=O) N1CCN (CC1) C (c1ccc (Cl) cc1) c1ccc (Cl) cc1
Molecular Formula
C20H20Cl2N4O4
Molecular Weight
451.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)-2-(hydroxyimino)-3-nitropropan-1-one
CAS Number2421119-60-8
PubChem CID145865941
IUPAC Name(2E)-1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxyimino-3-nitropropan-1-one
Molecular FormulaC20H20Cl2N4O4
Molecular Weight451.3
XLogP4.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity599
SMILES
C1CN(CCN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)/C(=N/O)/C[N+](=O)[O-]
InChI
InChI=1S/C20H20Cl2N4O4/c21-16-5-1-14(2-6-16)19(15-3-7-17(22)8-4-15)24-9-11-25(12-10-24)20(27)18(23-28)13-26(29)30/h1-8,19,28H,9-13H2/b23-18+
InChIKey
XIOHKIAPXVDWCP-PTGBLXJZSA-N
Chemical Structure
2D Structure
2D structure of (E)-1-(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)-2-(hydroxyimino)-3-nitropropan-1-one
CAS: 2421119-60-8
CID: 145865941
Formula: C20H20Cl2N4O4
MW: 451.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.3
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass450.0861605
Monoisotopic Mass450.0861605
Topological Polar Surface Area102 Ų
Heavy Atom Count30
Formal Charge0
Complexity599
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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