1260760-06-2

Basic information

• Product Name: 8-broMoisoquinolin-3-aMine
• Synonyms: 8-broMoisoquinolin-3-aMine;8-bromo-isoquinolin-3-yl-amine
• CAS NO: 1260760-06-2
• Molecular Formula: C9H7BrN2
• Molecular Weight: 223.06928
• Mol File: 1260760-06-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 387.6±22.0 °C(Predicted)
• Appearance: /
• Density: 1.649±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• PKA: 4.32±0.50(Predicted)
• CAS DataBase Reference: 8-broMoisoquinolin-3-aMine(CAS DataBase Reference)
• NIST Chemistry Reference: 8-broMoisoquinolin-3-aMine(1260760-06-2)
• EPA Substance Registry System: 8-broMoisoquinolin-3-aMine(1260760-06-2)

Safety Data

• Hazardous Substances Data: 1260760-06-2(Hazardous Substances Data)

Usage

General Description

8-Bromoisoquinolin-3-amine is an organic compound with the molecular formula C9H7BrN2. It is a derivative of isoquinoline, a nitrogen-containing aromatic compound. This chemical is commonly used as an intermediate in the synthesis of pharmaceuticals and organic compounds. It appears as a light yellow solid and is soluble in organic solvents such as ethanol and dimethyl sulfoxide. Its chemical structure and properties make it a useful building block for the synthesis of various bioactive molecules and pharmaceutical compounds.

Upstream product

• 1338254-36-6 N-(2-bromo-benzyl)-2,2-diethoxy-acetamidine 
• 3959-05-5 2-bromobenzylamine 

Relevant articles and documents

Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents

Our strategy to combat resistant bacteria consisted of targeting the GyrB/ParE ATP-binding sites located on bacterial DNA gyrase and topoisomerase IV and not utilized by marketed antibiotics. Screening around the minimal ethyl urea binding motif led to the identification of isoquinoline ethyl urea 13 as a promising starting point for fragment evolution. The optimization was guided by structure-based design and focused on antibacterial activity in vitro and in vivo, culminating in the discovery of unprecedented substituents able to interact with conserved residues within the ATP-binding site. A detailed characterization of the lead compound highlighted the potential for treatment of the problematic fluoroquinolone-resistant MRSA, VRE, and S. pneumoniae, and the possibility to offer patients an intravenous-to-oral switch therapy was supported by the identification of a suitable prodrug concept. Eventually, hERG K-channel block was identified as the main limitation of this chemical series, and efforts toward its minimization are reported.

Isoquinolin-3-Ylurea Derivatives

The invention relates to isoquinolin-3-ylurea derivatives of formula (I) wherein R1 represents (C1-C3)alkyl, (C1-C3)haloalkyl or cyclopropyl, R4 represents H and the substituents R2 and R3 and R5 have the meanings disclosed in the specification; and to the salts of such compounds. These compounds are useful for the prevention or the treatment of bacterial infections.

ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES

The invention relates to isoquinolin-3-ylurea derivatives of formula (I) wherein R1 represents (C1-C3)alkyl, (C1-C3)haloalkyl or cyclopropyl, R4 represents H and the substituents R2 and R3 and R5 have the meanings disclosed in the specification; and to the salts of such compounds. These compounds are useful for the prevention or the treatment of bacterial infections.