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Chemical structure of PROTAC AR/AR-V7 degrader-1

GC73996

PROTAC AR/AR-V7 degrader-1

Also known as 4-[3-[2-[(8-fluoroquinolin-5-yl)amino]ethyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

PROTAC AR/AR-V7 degrader-1 (27c) is a PROTAC-based and dual AR, AR-V7 degrader, with DC50 values of 2·67 and 2·64 μM for AR and AR-V7, respectively

ChemicalCAS2841308-96-9MW485.43FormulaC24H19F4N5O2
CAS number
2841308-96-9
Molecular weight
485.43
Formula
C24H19F4N5O2
Solubility
DMSO : ≥ 100 mg/mL (206·00 mM)
InChIKey
QMRZVTDYXXBISG-UHFFFAOYSA-N
Catalogue number
GC73996
Brand
GLPBIO
Computed properties PubChem CID 162351884 · XLogP 4.1 · TPSA 89.3 Ų · H-bond donors 1
XLogP
4.1
TPSA
89.3 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
35

SMILES CC1(C(=O)N(C(=O)N1CCNC2=C3C=CC=NC3=C(C=C2)F)C4=CC(=C(C=C4)C#N)C(F)(F)F)C

Computed descriptors from PubChem (CID 162351884), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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