1229019-31-1

Basic information

• Product Name: 2-propoxy-5-(4-methylpiperazin-1-yl)sulphonylbenzonitrile
• Synonyms: 2-propoxy-5-(4-methylpiperazin-1-yl)sulphonylbenzonitrile
• CAS NO: 1229019-31-1
• Molecular Weight: 323.416
• Mol File: 1229019-31-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-propoxy-5-(4-methylpiperazin-1-yl)sulphonylbenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-propoxy-5-(4-methylpiperazin-1-yl)sulphonylbenzonitrile(1229019-31-1)
• EPA Substance Registry System: 2-propoxy-5-(4-methylpiperazin-1-yl)sulphonylbenzonitrile(1229019-31-1)

Safety Data

• Hazardous Substances Data: 1229019-31-1(Hazardous Substances Data)

Upstream product

• 6609-58-1 2-propoxybenzonitrile 

Downstream Products

• 1229017-03-1 6-ethyl-2-[2-propoxy-5-(4-methyl-1-piperazinylsulfonyl)-phenyl]pyrimidin-4(3H)-one 
• 1229019-16-2 5-chloro-6-ethyl-2-[2-n-propoxyl-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimid-4(3H)-one 
• 1229019-29-7 5-bromo-6-ethyl-2-[2-propoxy-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimidin-4(3H)-one 
• 1229019-28-6 5-iodo-6-ethyl-2-[2-n-propoxy-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimid-4(3H)-one 
• 1229019-36-6 5-(4-methylpiperazin-1-ylsulfonyl)-2-propoxybenzimidamide 
• 1229019-15-1 5-iodo-6-isopropyl-2-[2-n-propoxyl-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimid-4(3H )-one 
• 1229016-98-1 6-isopropyl-2-[2-n-propoxy-5-(4-methyl-piperazin-1-yl-sulfonyl)phenyl]pyrimid-4(3H)-one 

Relevant articles and documents

Utilization of halogen bond in lead optimization: A case study of rational design of potent phosphodiesterase type 5 (PDE5) inhibitors

For proof-of-concept of halogen bonding in drug design, a series of halogenated compounds were designed based on a lead structure as new inhibitors of phosphodiesterase type 5. Bioassay results revealed a good correlation between the measured bioactivity and the calculated halogen bond energy. Our X-ray crystal structures verified the existence of the predicted halogen bonds, demonstrating that the halogen bond is an applicable tool in drug design and should be routinely considered in lead optimization.