1261869-76-4

Basic information

• Product Name: 1-oxoisoindoline-5-carbonitrile
• Synonyms: 1-oxoisoindoline-5-carbonitrile;1-Oxo-2,3-dihydro-1H-isoindole-5-carbonitrile
• CAS NO: 1261869-76-4
• Molecular Formula: C₉H₆N₂O
• Molecular Weight: 158
• Mol File: 1261869-76-4.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-oxoisoindoline-5-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-oxoisoindoline-5-carbonitrile(1261869-76-4)
• EPA Substance Registry System: 1-oxoisoindoline-5-carbonitrile(1261869-76-4)

Safety Data

• Hazardous Substances Data: 1261869-76-4(Hazardous Substances Data)

Usage

General Description

1-oxoisoindoline-5-carbonitrile is a chemical compound with the molecular formula C10H5NO. It is a heterocyclic compound containing a five-membered ring with an oxygen and nitrogen atom, as well as a carbonitrile group. 1-oxoisoindoline-5-carbonitrile is used in organic synthesis and pharmaceutical research, and its structure makes it a potential candidate for drug development. It has been studied for its potential biological activities, including as an anticonvulsant and anti-inflammatory agent. Additionally, 1-oxoisoindoline-5-carbonitrile has been investigated for its potential use in the synthesis of other organic compounds and as a building block for the development of new materials. Overall, this chemical compound has garnered interest for its potential applications in various fields, including medicine and materials science.

InChI:InChI=1S/C9H6N2O/c10-4-6-1-2-8-7(3-6)5-11-9(8)12/h1-3H,5H2,(H,11,12)

Upstream product

• 99548-55-7 4-bromo-2-methyl-benzoic acid methyl ester 
• 103261-67-2 4-cyano-2-methylbenzoic acid methyl ester 
• 165111-46-6 2-bromomethyl-4-cyano-benzoic acid methyl ester 
• 68837-59-2 4-bromo-2-methylbenzoic acid 
• 1440519-96-9 2-(4-methoxy-benzyl)-1-oxo-2,3-dihydro-1H-isoindole-5-carbonitrile 
• 557-21-1 zinc(II) cyanide 
• 552330-86-6 5-bromoisoindolin-1-one 
• 78471-43-9 methyl 4-bromo-2-(bromomethyl)benzoate 

Downstream Products

• 23386-40-5 1-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid 

Relevant articles and documents

Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase

Aberrant activity of the histone methyltransferase polycomb repressive complex 2 (PRC2) has been linked to several cancers, with small-molecule inhibitors of the catalytic subunit of the PRC2 enhancer of zeste homologue 2 (EZH2) being recently approved fo

Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors

Aldosterone synthase (CYP11B2) inhibitors have been explored in recent years as an alternative therapeutic option to mineralocorticoid receptor (MR) antagonists to reduce elevated aldosterone levels, which are associated with deleterious effects on various organ systems including the heart, vasculature, kidney, and central nervous system (CNS). A benzamide pyridine hit derived from a focused screen was successfully developed into a series of potent and selective 3-pyridyl isoindolin-1-ones CYP11B2 inhibitors. Our systematic structure-activity relationship study enabled us to identify unique structural features that result in high selectivity against the closely homologous cortisol synthase (CYP11B1). We evaluated advanced lead molecules, exemplified by compound 52, in an in vivo cynomolgus monkey acute adrenocorticotropic hormone (ACTH) challenge model and demonstrated a superior 100-fold in vivo selectivity against CYP11B1.