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Chemical structure of PROTAC ER Degrader-4

GC64350

PROTAC ER Degrader-4

Also known as (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

PROTAC ER Degrader-4 is a von Hippel-Lindau-based PROATC estrogen receptor (ER) degrader, binding to ER with an IC50 of 0·8 nM· PROTAC ER Degrader-4 induces ER degradation in MCF-7 cells with an IC50 of 0·3 nM

ChemicalCAS2361114-15-8MW1005.19FormulaC53H67F3N6O8S
CAS number
2361114-15-8
Molecular weight
1005.19
Formula
C53H67F3N6O8S
InChIKey
WNWBHGDKGOSOKU-QIINAUKOSA-N
Catalogue number
GC64350
Brand
GLPBIO
Computed properties PubChem CID 138693144 · XLogP 7.3 · TPSA 196 Ų · H-bond donors 4
XLogP
7.3
TPSA
196 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
22
Heavy atoms
71

SMILES C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)OCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)F)NC7=CC=CC=C27

Computed descriptors from PubChem (CID 138693144), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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