Basic information Safety Supplier Related

4-((1r,3r)-3-amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile hydrochloride

Basic information Safety Supplier Related

4-((1r,3r)-3-amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile hydrochloride Basic information

Product Name:
4-((1r,3r)-3-amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile hydrochloride
Synonyms:
  • 4-((1r,3r)-3-amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile hydrochloride
  • Benzonitrile, 4-[(trans-3-amino-2,2,4,4-tetramethylcyclobutyl)oxy]-2-chloro-, hydrochloride (1:1)
  • AR antagonist 1 (hydrochloride)
  • trans-4-(3-amino-2,2,4,4-tetramethyl-cyclobutoxy)-2-chloro-benzonitrile
  • 4-(trans-3-Amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile Hydrochloride
  • trans-4-(3-amino-2,2,4,4-tetramethyl-cyclobutoxy)-2-chloro-benzonitrile hydrochloride - [A88221]
CAS:
1818885-55-0
MF:
C15H20Cl2N2O
MW:
315.24
Mol File:
1818885-55-0.mol
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4-((1r,3r)-3-amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile hydrochloride Chemical Properties

form 
Solid
color 
White to off-white
InChI
InChI=1/C15H19ClN2O.ClH/c1-14(2)12(18)15(3,4)13(14)19-10-6-5-9(8-17)11(16)7-10;/h5-7,12-13H,18H2,1-4H3;1H/t12-,13-;
InChIKey
SHISKTDDIFARGI-UBRLZZGHNA-N
SMILES
O(C1C=CC(C#N)=C(Cl)C=1)[C@H]1C(C)(C)[C@H](N)C1(C)C.Cl |&1:10,14,r|
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4-((1r,3r)-3-amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile hydrochloride Usage And Synthesis

Uses

AR antagonist 1 (compound 29) hydrochloride is a potent androgen receptor (AR) antagonist and binds to E3 ligase ligands with weak binding affinities to VHL protein in the synthesis of PROTAC ARD-266 (HY-133020)[1].

IC 50

VHL

References

[1] Han X, et al. Discovery of Highly Potent and Efficient PROTAC Degraders of Androgen Receptor (AR) by Employing Weak Binding Affinity VHL E3 Ligase Ligands. J Med Chem. 2019 Dec 26;62(24):11218-11231. DOI:10.1021/acs.jmedchem.9b01393

4-((1r,3r)-3-amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile hydrochlorideSupplier

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