Bioorganic and Medicinal Chemistry Letters p. 259 - 264 (2001)
Update date:2022-08-04
Topics:
Dorn, Conrad P.
Finke, Paul E.
Oates, Bryan
Budhu, Richard J.
Mills, Sander G.
MacCoss, Malcolm
Malkowitz, Lorraine
Springer, Martin S.
Daugherty, Bruce L.
Gould, Sandra L.
DeMartino, Julie A.
Siciliano, Salvatore J.
Carella, Anthony
Carver, Gwen
Holmes, Karen
Danzeisen, Renee
Hazuda, Daria
Kessler, Joseph
Lineberger, Janet
Miller, Michael
Schleif, William A.
Emini, Emilio A.
Screening of the Merck sample collection for compounds with CCR5 receptor binding afforded (2S)-2-(3,4-dichlorophenyl)-1-[N-(methyl)-N-(phenylsulfonyl)amino]-4-[spiro(2 ,3-dihydrobenzthiophene-3,4′-piperidin-1′-yl)]butane S-oxide (4) as a potent lead structure having an IC50 binding affinity of 35 nM. Herein, we describe the discovery of this lead structure and our initial structure-activity relationship studies directed toward the requirement for and optimization of the 1-amino fragment.
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