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Chemical structure of PROTAC GPX4 degrader-1

GC73223

PROTAC GPX4 degrader-1

Also known as 4-[3-[4-[[1-[2-[4-[(4-chlorophenyl)-[4-(5-methyl-4-nitro-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]phenoxy]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

PROTAC GPX4 degrader-1 (DC-2) is a PROTAC-based GPX4 degrader, with a DC50 of 0·03 μM in HT1080 cells

ChemicalCAS2916433-81-1MW993.5FormulaC50H57ClN10O10
CAS number
2916433-81-1
Molecular weight
993.5
Formula
C50H57ClN10O10
Solubility
DMSO ： 100 mg/mL (100·65 mM; Need ultrasonic)
InChIKey
HMSNFNLFZRKDIO-UHFFFAOYSA-N
Catalogue number
GC73223
Brand
GLPBIO
Computed properties PubChem CID 168355638 · XLogP 4.9 · TPSA 227 Ų · H-bond donors 2
XLogP
4.9
TPSA
227 Ų
H-bond donors
2
H-bond acceptors
15
Rotatable bonds
15
Heavy atoms
71

SMILES CC1=C(C(=NO1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)OCC(=O)N4CCC(CC4)CN5CCN(CC5)CCCNC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)C9=CC=C(C=C9)Cl)[N+](=O)[O-]

Computed descriptors from PubChem (CID 168355638), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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