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Chemical structure of Erastin2

GC43623

Erastin2

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

Erastin2 is a potent system xc- inhibitor and ferroptosis-inducing agent

ChemicalCAS1695533-44-8MW623.1FormulaC36H35ClN4O4
CAS number
1695533-44-8
Molecular weight
623.1
Formula
C36H35ClN4O4
Solubility
1mg/mL in DMSO, 10mg/mL in DMF
InChIKey
WLPHOTYCGOGILE-UHFFFAOYSA-N
Catalogue number
GC43623
Brand
GLPBIO
Computed properties PubChem CID 155928635 · XLogP 6.5 · TPSA 74.7 Ų · H-bond donors 0
XLogP
6.5
TPSA
74.7 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
45

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

Computed descriptors from PubChem (CID 155928635), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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