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Chemical structure of AR antagonist 1 hydrochloride

GC68681

AR antagonist 1 hydrochloride

Also known as 4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2-chlorobenzonitrile;hydrochloride

AR antagonist 1 (compound 29) hydrochloride is an effective AR antagonist that binds to E3 ligand and has weak affinity for VHL protein· It is used in the synthesis of PROTAC ARD-266

ChemicalCAS1818885-55-0MW315.24FormulaC15H20Cl2N2O
CAS number
1818885-55-0
Molecular weight
315.24
Formula
C15H20Cl2N2O
InChIKey
SHISKTDDIFARGI-UHFFFAOYSA-N
Catalogue number
GC68681
Brand
GLPBIO
Computed properties PubChem CID 118435272 · TPSA 59 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
59 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20

SMILES CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)N)C.Cl

Computed descriptors from PubChem (CID 118435272), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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