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Chemical structure of Androgen receptor antagonist 1

GC60582

Androgen receptor antagonist 1

Also known as N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide

Androgen receptor antagonist 1 is an orally available full androgen receptor (AR) antagonist with an IC50 of 59 nM· Androgen receptor antagonist 1 (Compound 6) can be used in the synthesis of PROTAC AR degraders, which results 24% and 47 % AR protein degradation in LNCaP cells at 1 μM and 10 μM, respectively

ChemicalCAS1338812-36-4MW416.9FormulaC21H25ClN4O3
CAS number
1338812-36-4
Molecular weight
416.9
Formula
C21H25ClN4O3
InChIKey
HJJNHDLYWZTKGQ-UHFFFAOYSA-N
Catalogue number
GC60582
Brand
GLPBIO
Computed properties PubChem CID 56643472 · XLogP 3.1 · TPSA 100 Ų · H-bond donors 2
XLogP
3.1
TPSA
100 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

SMILES CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CN(N=C3)CCO)C

Computed descriptors from PubChem (CID 56643472), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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