RU-59063 - CAS 155180-53-3
Catalog:
BB011096
Product Name:
RU-59063
CAS:
155180-53-3
Synonyms:
RU 59063; 4-(3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
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BB011096
50 mg
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IUPAC Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Description: RU-59063 is a nonsteroidal androgen or selective androgen receptor modulator (SARM).
Molecular Weight: 385.4
Molecular Formula: C17H18F3N3O2S
Canonical SMILES: CC1(C(=O)N(C(=S)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C
InChI: InChI=1S/C17H18F3N3O2S/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
InChI Key: FIDNKDVRTLFETI-UHFFFAOYSA-N
Boiling Point: 499.6°C at 760 mmHg
Density: 1.41 g/cm3
LogP: 3.06458
Publication Number Title Priority Date
US-2016022642-A1 Compounds Useful for Promoting Protein Degradation and Methods Using Same 20140725
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WO-2013170147-A1 Compounds useful for promoting protein degradation and methods using same 20120511
US-2012251551-A1 Substituted (Heteroarylmethyl)thiohydantoins 20090911
PMID Publication Date Title Journal
20218717 20100408 Structure-activity relationship for thiohydantoin androgen receptor antagonists for castration-resistant prostate cancer (CRPC) Journal of medicinal chemistry
15715462 20050224 Three-dimensional structure-activity relationships of nonsteroidal ligands in complex with androgen receptor ligand-binding domain Journal of medicinal chemistry
15454212 20041101 Synthesis and structure-activity investigation of iodinated arylhydantoins and arylthiohydantoins for development as androgen receptor radioligands Bioorganic & medicinal chemistry letters
Complexity: 614
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 385.10718249
Formal Charge: 0
Heavy Atom Count: 26
Hydrogen Bond Acceptor Count: 7
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 385.10718249
Rotatable Bond Count: 5
Topological Polar Surface Area: 99.7
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.7
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