| Identification | Back Directory | [Name]
4-((1r,3r)-3-amino-2,2,4,4-tetramethylcyclobutoxy)-2-chlorobenzonitrile hydrochloride | [CAS]
1818885-55-0 | [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) | [Molecular Formula]
C15H20Cl2N2O | [MDL Number]
MFCD30729667 | [MOL File]
1818885-55-0.mol | [Molecular Weight]
315.24 |
| Chemical Properties | Back Directory | [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| |
| Hazard Information | Back Directory | [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 |
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