366452-97-3

Basic information

• Product Name: 4-nitroisoindolin-1-one
• Synonyms: 4-nitroisoindolin-1-one;4-Nitro-2,3-dihydro-1H-isoindol-1-one;4-Nitro-2,3-dihydro-1H-isoindolin-1-one;4-Nitro-2,3-dihydro-isoindol-1-one;1H-Isoindol-1-one, 2,3-dihydro-4-nitro-
• CAS NO: 366452-97-3
• Molecular Formula: C8H6N2O3
• Molecular Weight: 178.14484
• Mol File: 366452-97-3.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 488.773 °C at 760 mmHg
• Flash Point: 249.401 °C
• Appearance: /
• Density: 1.45 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.632
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-nitroisoindolin-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-nitroisoindolin-1-one(366452-97-3)
• EPA Substance Registry System: 4-nitroisoindolin-1-one(366452-97-3)

Safety Data

• Hazardous Substances Data: 366452-97-3(Hazardous Substances Data)

Usage

Uses

4-Nitroisoindolin-1-one is a reactant that has been used in the synthesis of 4-(N-acyl)-2,3-dihydro-1H-isoindol-1-ones as potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1).

InChI:InChI=1/C8H6N2O3/c11-8-5-2-1-3-7(10(12)13)6(5)4-9-8/h1-3H,4H2,(H,9,11)

Upstream product

• 98475-07-1 2-bromomethyl-3-nitro-benzoic acid methyl ester 
• 39830-63-2 3-hydroxy-4-nitroisoindolin-1-one 
• 603-62-3 4-nitro-1H-isoindole-1,3(2H)-dione 
• 59382-59-1 2-methyl-3-nitro-benzoic acid methyl ester 

Downstream Products

• 295357-72-1 2-(4-nitro-1-oxo-1,3-dihydroisoindol-2-yl)glutaric acid 
• 366454-36-6 EB-47 
• 366452-98-4 4-amino-2,3-dihydro-1H-isoindol-1-one 

Relevant articles and documents

HPK1 ANTAGONISTS AND USES THEREOF

The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of HPK1, and the treatment of HPK1-mediated disorders.

Compound with dual inhibitory activity TDO, IDOO1 and application of compound for treating neurodegenerative disease (by machine translation)

The present invention provides a compound of formula I, or a pharmaceutically acceptable salt thereof, or a solvate thereof, which can selectively inhibit TDO, IDOO1, which has a significant inhibitory effect on TDO and/or IDOO1. In addition, the prepared compound has a remarkable anti-tumor effect, has a certain treatment effect on's disease and's disease, and has a good application prospect in the field of medicine preparation. (by machine translation)

Small Molecule Microarray Based Discovery of PARP14 Inhibitors

Poly(ADP-ribose) polymerases (PARPs) are key enzymes in a variety of cellular processes. Most small-molecule PARP inhibitors developed to date have been against PARP1, and suffer from poor selectivity. PARP14 has recently emerged as a potential therapeutic target, but its inhibitor development has trailed behind. Herein, we describe a small molecule microarray-based strategy for high-throughput synthesis, screening of >1000 potential bidentate inhibitors of PARPs, and the successful discovery of a potent PARP14 inhibitor H10 with >20-fold selectivity over PARP1. Co-crystallization of the PARP14/H10 complex indicated H10 bound to both the nicotinamide and the adenine subsites. Further structure–activity relationship studies identified important binding elements in the adenine subsite. In tumor cells, H10 was able to chemically knockdown endogenous PARP14 activities.