716360-11-1

Basic information

• Product Name: C₂₀H₂₆N₂O₄S
• CAS NO: 716360-11-1
• Molecular Weight: 390.503
• Mol File: 716360-11-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₀H₂₆N₂O₄S(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₀H₂₆N₂O₄S(716360-11-1)
• EPA Substance Registry System: C₂₀H₂₆N₂O₄S(716360-11-1)

Safety Data

• Hazardous Substances Data: 716360-11-1(Hazardous Substances Data)

Upstream product

• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 716360-10-0 C₂₂H₃₀N₂O₄S 
• 193537-11-0 tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)-4-piperidine-1-carboxylate 

Downstream Products

• 716360-12-2 C₁₉H₂₆N₂O₂S 
• 716359-86-3 t-butyl 4-[3-(methylthio)phenyl]-4-(2-oxoethyl)piperidine-1-carboxylate 
• 716359-88-5 t-butyl endo 4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-[3-(methylthio)phenyl]piperidine-1-carboxylate 
• 716353-05-8 C₃₆H₄₂ClN₅O₃S₂ 

Relevant articles and documents

Novel 4,4-disubstituted piperidine-based C-C chemokine receptor-5 inhibitors with high potency against human immunodeficiency virus-1 and an improved human ether-a-go-go related gene (hERG) profile

We recently described (J. Med. Chem. 2008, 51, 6538-6546) a novel class of CCR5 antagonists with strong anti-HIV potency. Herein, we detail SAR converting leads 1 and 2 to druglike molecules. The pivotal structural motif enabling this transition was the secondary sulfonamide substituent. Further finetuning of the substituent pattern in the sulfonamide paved the way to enhancing potency and bioavailability and minimizing hERG inhibition, resulting in discovery of clinical compound 122 (GSK163929).