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Chemical structure of ARCC-4

GC60594

ARCC-4

Also known as (2S,4R)-1-[(2S)-2-[[2-[4-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]phenoxy]butoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

ARCC-4 is a low-nanomolar Androgen Receptor (AR) degrader based on PROTAC, with a DC50 of 5?nM· ARCC-4 is an enzalutamide-based von Hippel-Lindau (VHL)-recruiting AR PROTAC and outperforms enzalutamide· ARCC-4 effectively degrades clinically relevant AR mutants associated with antiandrogen therapy

ChemicalCAS1973403-00-7MW1024.18FormulaC53H56F3N7O7S2
CAS number
1973403-00-7
Molecular weight
1024.18
Formula
C53H56F3N7O7S2
Solubility
DMSO： 200 mg/mL (195·28 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
DUPAJELXESPTNF-PPZGWQTASA-N
Catalogue number
GC60594
Brand
GLPBIO
Computed properties PubChem CID 122428515 · XLogP 8.5 · TPSA 238 Ų · H-bond donors 3
XLogP
8.5
TPSA
238 Ų
H-bond donors
3
H-bond acceptors
14
Rotatable bonds
18
Heavy atoms
72

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCCCOC4=CC=C(C=C4)C5=CC=C(C=C5)N6C(=S)N(C(=O)C6(C)C)C7=CC(=C(C=C7)C#N)C(F)(F)F)O

Computed descriptors from PubChem (CID 122428515), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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