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Chemical structure of Imidazole Ketone Erastin

GC52190

Imidazole Ketone Erastin

Also known as 2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-3-[5-(2-imidazol-1-ylacetyl)-2-propan-2-yloxyphenyl]quinazolin-4-one

Imidazole Ketone Erastin is an effective and metabolically stable system xc- inhibitor and ferroptosis inducer

ChemicalCAS1801530-11-9MW655.1FormulaC35H35ClN6O5
CAS number
1801530-11-9
Molecular weight
655.1
Formula
C35H35ClN6O5
Solubility
DMF： 10mg/mL; DMSO： 100mg/mL; DMSO：PBS (pH 7·2) (1：2)： 0·25mg/mL
InChIKey
PSPXJPWGVFNGQI-UHFFFAOYSA-N
Catalogue number
GC52190
Brand
GLPBIO
Computed properties PubChem CID 91824786 · XLogP 4.5 · TPSA 110 Ų · H-bond donors 0
XLogP
4.5
TPSA
110 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
47

SMILES CC(C)OC1=C(C=C(C=C1)C(=O)CN2C=CN=C2)N3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C(=O)COC6=CC=C(C=C6)Cl

Computed descriptors from PubChem (CID 91824786), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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