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ARD-266 , CAS No.A607717, Antagonist of Androgen receptor
Basic Description
Synonyms | compound 11 |
Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | ANTAGONIST |
Mechanism of action | Antagonist of Androgen receptor |
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Associated Targets(Human)
Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
IUPAC Name | (2S,4R)-N-((S)-3-(3-(4-((4-(((1r,3r)-3-(3-Chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl)carbamoyl)phenyl)ethynyl)piperidin-1-yl)azetidin-1-yl)-3-oxo-1-phenylpropyl)-4-hydroxy-1-((R)-3-methyl-2-(3-methylisoxazol-5-yl)butanoyl)pyrrolidine-2-carboxamide |
INCHI | InChI=1S/C52H59ClN6O7/c1-31(2)45(43-25-32(3)57-66-43)48(64)59-30-38(60)26-42(59)47(63)55-41(35-11-9-8-10-12-35)28-44(61)58-23-21-34(22-24-58)14-13-33-15-17-36(18-16-33)46(62)56-49-51(4,5)50(52(49,6)7)65-39-20-19-37(29-54)40(53)27-39/h8-12,15-20,25,27,31,34,38,41-42,45,49-50,60H,21-24,26,28,30H2,1-7H3,(H,55,63)(H,56,62)/t38-,41+,42+,45-,49-,50-/m1/s1 |
InChi Key | RTNONCBKGZNCJS-LJLQSONVSA-N |
Canonical SMILES | N#Cc1ccc(cc1Cl)O[C@@H]1C(C)(C)[C@H](C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C(=O)C[C@@H](c1ccccc1)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](c1onc(c1)C)C(C)C)O |
Isomeric SMILES | CC1=NOC(=C1)[C@@H](C(C)C)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(=O)N3CCC(CC3)C#CC4=CC=C(C=C4)C(=O)NC5C(C(C5(C)C)OC6=CC(=C(C=C6)C#N)Cl)(C)C)C7=CC=CC=C7)O |
PubChem CID | 145996519 |
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References
1. Han X, Zhao L, Xiang W, Qin C, Miao B, Xu T, Wang M, Yang CY, Chinnaswamy K, Stuckey J et al.. (2019) Discovery of Highly Potent and Efficient PROTAC Degraders of Androgen Receptor (AR) by Employing Weak Binding Affinity VHL E3 Ligase Ligands.. J Med Chem, 62 (24): (11218-11231). [PMID:31804827] [10.1021/op500134e] |
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