1381812-94-7

Basic information

• Product Name: 1-(3-chloroisoquinolin-6-yl)ethanone
• Synonyms: 1-(3-chloroisoquinolin-6-yl)ethanone
• CAS NO: 1381812-94-7
• Molecular Formula: C11H8ClNO
• Molecular Weight: 205.64032
• Mol File: 1381812-94-7.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-(3-chloroisoquinolin-6-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-chloroisoquinolin-6-yl)ethanone(1381812-94-7)
• EPA Substance Registry System: 1-(3-chloroisoquinolin-6-yl)ethanone(1381812-94-7)

Safety Data

• Hazardous Substances Data: 1381812-94-7(Hazardous Substances Data)

Usage

Structure

A derivative of isoquinoline, which is a heterocyclic compound containing a benzene ring fused to a pyridine ring.

Chlorine atom

Present at the 3-position of the isoquinoline ring, giving the compound unique properties and reactivity.

Usage

Commonly used in organic synthesis as a building block for creating more complex molecules.

Pharmaceutical industry

Useful for the development of new drugs due to its structure and reactivity.

Materials science

Utilized for creating novel materials with specific properties.

Research and development

Important compound for chemical research and development due to its potential biological and industrial applications.

Upstream product

• 1381812-85-6 3-chloro-6-(1-ethoxyvinyl)isoquinoline 

Relevant articles and documents

Discovery of a Potent and Orally Bioavailable Cyclophilin Inhibitor Derived from the Sanglifehrin Macrocycle

Cyclophilins are a family of peptidyl-prolyl isomerases that are implicated in a wide range of diseases including hepatitis C. Our aim was to discover through total synthesis an orally bioavailable, non-immunosuppressive cyclophilin (Cyp) inhibitor with potent anti-hepatitis C virus (HCV) activity that could serve as part of an all oral antiviral combination therapy. An initial lead 2 derived from the sanglifehrin A macrocycle was optimized using structure based design to produce a potent and orally bioavailable inhibitor 3. The macrocycle ring size was reduced by one atom, and an internal hydrogen bond drove improved permeability and drug-like properties. 3 demonstrates potent Cyp inhibition (Kd = 5 nM), potent anti-HCV 2a activity (EC50 = 98 nM), and high oral bioavailability in rat (100%) and dog (55%). The synthetic accessibility and properties of 3 support its potential as an anti-HCV agent and for interrogating the role of Cyp inhibition in a variety of diseases.

MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES

Provided are compounds of Formula I: and pharmaceutically acceptable salts and esters thereof. The compounds, compositions, and methods provided are useful for the treatment of virus infections, particularly hepatitis C infections.

MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES

Provided are compounds of Formula (I): and pharmaceutically acceptable salts and esters thereof. The compounds, compositions, and methods provided are useful for the treatment of Flaviviridae virus infections, particularly hepatitis C infections.