93117-08-9

Basic information

• Product Name: 5-AMINO-2H-ISOQUINOLIN-1-ONE
• Synonyms: 5-AMINO-2H-ISOQUINOLIN-1-ONE;1(2H)-Isoquinolinone,5-amino-(9CI);5-amino-2H-isoquinoin-1-one;5-aMinoisoquinolin-1-ol;5-Amino-1(2H)-isoquinolinone;5-aMinoisoquinolin-1(2H)-one;5-aMino-1,2-dihydroisoquinolin-1-one;1(2H)-Isoquinolinone, 5-aMino-
• CAS NO: 93117-08-9
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.17262
• Product Categories: ISOQUINOLINE
• Mol File: 93117-08-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 477.3oC at 760 mmHg
• Flash Point: 242.4oC
• Appearance: /
• Density: 1.287
• Vapor Pressure: 2.84E-09mmHg at 25°C
• Refractive Index: 1.656
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 5-AMINO-2H-ISOQUINOLIN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-AMINO-2H-ISOQUINOLIN-1-ONE(93117-08-9)
• EPA Substance Registry System: 5-AMINO-2H-ISOQUINOLIN-1-ONE(93117-08-9)

Safety Data

• Hazardous Substances Data: 93117-08-9(Hazardous Substances Data)

Usage

Description

5-Amino-2H-isoquinolin-1-one is an organic compound that serves as a key reactant in the synthesis of various pharmaceutical agents, particularly glucocorticoid receptor agonists and PARP inhibitors. These synthesized compounds have significant applications in the treatment of tumors and other medical conditions.

Uses

Used in Pharmaceutical Industry:
5-Amino-2H-isoquinolin-1-one is used as a reactant for synthesizing glucocorticoid receptor agonists, which are important in the treatment of various medical conditions, including inflammation and immune disorders.
Additionally, 5-Amino-2H-isoquinolin-1-one is used as a reactant for synthesizing PARP inhibitors, a class of drugs that have shown promise in the treatment of tumors by targeting cancer cells' DNA repair mechanisms, leading to cell death and potentially offering a therapeutic advantage in cancer treatment.

InChI:InChI=1/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)

Upstream product

• 82827-08-5 5-nitroisoquinoline-1(2H)-one 
• 7440-44-0 pyrographite 
• 19493-44-8 1-chloroisoquinoline 
• 58142-97-5 1-chloro-5-nitroisoquinoline 

Downstream Products

• 75201-83-1 (1-Oxo-1,2-dihydro-isoquinolin-5-yl)-carbamic acid benzyl ester 

Relevant articles and documents

Discovery of Benzopyridone-Based Transient Receptor Potential Vanilloid 1 Agonists and Antagonists and the Structural Elucidation of Their Activity Shift

Among a series of benzopyridone-based scaffolds investigated as human transient receptor potential vanilloid 1 (TRPV1) ligands, two isomeric benzopyridone scaffolds demonstrated a consistent and distinctive functional profile in which 2-oxo-1,2-dihydroquinolin-5-yl analogues (e.g., 2) displayed high affinity and potent antagonism, whereas 1-oxo-1,2-dihydroisoquinolin-5-yl analogues (e.g., 3) showed full agonism with high potency. Our computational models provide insight into the agonist-antagonist boundary of the analogues suggesting that the Arg557 residue in the S4-S5 linker might be important for sensing the agonist binding and transmitting signals. These results provide structural insights into the TRPV1 and the protein-ligand interactions at a molecular level.

1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS

The invention relates to polysubstituted tetrahydronaphtalene derivatives of formula (I), to methods for the production thereof, and to their use as antiphlogistics. The substituents are defined in Claim 1.

Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents

The invention relates to multiply-substituted tetrahydronaphthalene derivatives of formula (I) process for their production and their use as anti-inflammatory agents.