863886-03-7

Basic information

• Product Name: n-butyl (E)-3-[4-nitro-3-(methylamino)phenyl]prop-2-enoate
• Synonyms: n-butyl (E)-3-[4-nitro-3-(methylamino)phenyl]prop-2-enoate
• CAS NO: 863886-03-7
• Molecular Weight: 278.308
• Mol File: 863886-03-7.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: n-butyl (E)-3-[4-nitro-3-(methylamino)phenyl]prop-2-enoate(CAS DataBase Reference)
• NIST Chemistry Reference: n-butyl (E)-3-[4-nitro-3-(methylamino)phenyl]prop-2-enoate(863886-03-7)
• EPA Substance Registry System: n-butyl (E)-3-[4-nitro-3-(methylamino)phenyl]prop-2-enoate(863886-03-7)

Safety Data

• Hazardous Substances Data: 863886-03-7(Hazardous Substances Data)

Upstream product

• 611-06-3 2,4-dichloronitrobenzene 
• 141-32-2 acrylic acid n-butyl ester 
• 35966-84-8 4-chloro-2-methylaminonitrobenzene 

Downstream Products

• 1160838-31-2 butyl (E)-3-(4-amino-3-(methylamino)phenyl)acrylate 
• 1370023-80-5 (E)-3-(2-(1-(2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carboxamido)cyclobutyl)-1-methyl-1H-benzo[d]imidazol-6-yl)acrylic acid sodium salt 
• 1370023-77-0 C₂₄H₃₅N₃O₅ 
• 1461641-21-3 (E)-3-[2-(1-{[2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]amino}cyclobutyl)-3-methyl-3H-benzimidazol-5-yl]acrylic acid 

Relevant articles and documents

Conformation-based restrictions and scaffold replacements in the design of hepatitis C virus polymerase inhibitors: Discovery of deleobuvir (BI 207127)

Conformational restrictions of flexible torsion angles were used to guide the identification of new chemotypes of HCV NS5B inhibitors. Sites for rigidification were based on an acquired conformational understanding of compound binding requirements and the roles of substituents in the free and bound states. Chemical bioisosteres of amide bonds were explored to improve cell-based potency. Examples are shown, including the design concept that led to the discovery of the phase III clinical candidate deleobuvir (BI 207127). The structure-based strategies employed have general utility in drug design.

MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR

This invention relates to novel mesylate salt forms of the following Compound (1), and methods for the preparation thereof, pharmaceutical compositions thereof, and their use in methods for the treatment of Hepatitis C Viral (HCV) infection:

SOLID STATE FORMS OF A POTENT HCV INHIBITOR

This invention relates to novel sodium salt forms of the following Compound (1), and methods for the preparation thereof, pharmaceutical compositions thereof, and their use in the treatment of Hepatitis C Viral (HCV) infection.