856843-02-2

Basic information

• Product Name: 3-(2-aMino-4-Methylphenyl)propan-1-ol
• Synonyms: 3-(2-aMino-4-Methylphenyl)propan-1-ol
• CAS NO: 856843-02-2
• Molecular Formula: C₁₀H₁₅NO
• Molecular Weight: 165.2322
• Mol File: 856843-02-2.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-(2-aMino-4-Methylphenyl)propan-1-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-aMino-4-Methylphenyl)propan-1-ol(856843-02-2)
• EPA Substance Registry System: 3-(2-aMino-4-Methylphenyl)propan-1-ol(856843-02-2)

Safety Data

• Hazardous Substances Data: 856843-02-2(Hazardous Substances Data)

Upstream product

• 857071-75-1 3-(4-methyl-2-nitrophenyl)prop-2-en-1-ol 

Downstream Products

• 857066-90-1 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(morpholin-4-yl)propyl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol 
• 918155-73-4 C₃₄H₃₇N₅O₃ 
• 918155-87-0 C₃₃H₃₅N₅O₃ 

Relevant articles and documents

Selection of a respiratory syncytial virus fusion inhibitor clinical candidate. 2. Discovery of a morpholinopropylaminobenzimidazole derivative (TMC353121)

A preceding paper (Bonfanti et al. J. Med Chem. 2007, 50, 4572-4584) reported the optimization of the pharmacokinetic profile of substituted benzimidazoles by reducing their tissue retention. However, the modifications that were necessary to achieve this goal also led to a significant drop in anti-RSV activity. This paper describes a molecular modeling study followed by a lead optimization program that led to the recovery of the initial potent antiviral activity and the selection of TMC353121 as a clinical candidate.