1362159-82-7

Basic information

• Product Name: C₂₁H₁₉N₃O₃S
• CAS NO: 1362159-82-7
• Molecular Weight: 393.466
• Mol File: 1362159-82-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₁H₁₉N₃O₃S(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₁H₁₉N₃O₃S(1362159-82-7)
• EPA Substance Registry System: C₂₁H₁₉N₃O₃S(1362159-82-7)

Safety Data

• Hazardous Substances Data: 1362159-82-7(Hazardous Substances Data)

Upstream product

• 1450724-06-7 4-nitrophenyl N-[[4-(benzenesulfonyl)phenyl]methyl]carbamate 
• 147739-88-6 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine 
• 94341-56-7 [4-(benzenesulfonyl)phenyl]methanamine 
• 873-55-2 sodium benzenesulfonate 
• 28525-13-5 4-(phenylsulfonyl)benzonitrile 
• 1194-02-1 4-fluorobenzonitrile 

Relevant articles and documents

Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT)

Potent nicotinamide phosphoribosyltransferase (NAMPT) inhibitors containing 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas were identified using structure-based design techniques. The new compounds displayed improved aqueous solubilities, determined using a high-throughput solubility assessment, relative to previously disclosed urea and amide-containing NAMPT inhibitors. An optimized 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived compound exhibited potent anti-NAMPT activity (18; BC NAMPT IC50 = 11 nM; PC-3 antiproliferative IC50 = 36 nM), satisfactory mouse PK properties, and was efficacious in a PC-3 mouse xenograft model. The crystal structure of another optimized compound (29; NAMPT IC50 = 10 nM; A2780 antiproliferative IC50 = 7 nM) in complex with the NAMPT protein was also determined.