290353-57-0

Basic information

• Product Name: 1-broMo-2-Methyl-3,4-dinitrobenzene
• Synonyms: 1-broMo-2-Methyl-3,4-dinitrobenzene
• CAS NO: 290353-57-0
• Molecular Formula: C₇H₅BrN₂O₄
• Molecular Weight: 261
• Mol File: 290353-57-0.mol
• Article Data: 7

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-broMo-2-Methyl-3,4-dinitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-broMo-2-Methyl-3,4-dinitrobenzene(290353-57-0)
• EPA Substance Registry System: 1-broMo-2-Methyl-3,4-dinitrobenzene(290353-57-0)

Safety Data

• Hazardous Substances Data: 290353-57-0(Hazardous Substances Data)

Usage

General Description

1-Bromo-2-methyl-3,4-dinitrobenzene is a chemical compound with the formula C7H5BrN2O4. It's a type of aromatic bromide and falls under the category of organic compounds. Its unique molecular structure features a benzene ring (an aromatic hydrocarbon) with three different substituents: a bromo group, a methyl group, and two nitro groups. The chemical is mostly used in scientific research and industrial purposes. Due to the presence of dinitro groups, this compound may have explosive properties and must be handled with care. As with many chemicals, potential hazards or toxicological properties should be thoroughly evaluated before use.

Upstream product

• 55289-35-5 2-bromo-6-nitrotoluene 

Downstream Products

• 952511-70-5 4-methyl-1H-benzo[d]imidazole-5-carbonitrile 
• 952511-48-7 5-bromo-4-methyl-1H-benzo[d]imidazole 
• 1193789-80-8 6-bromo-2,3-dinitrobenzoic acid 
• 952511-74-9 4-bromo-3-methyl-1,2-benzenediamine 

Relevant articles and documents

Thermodynamic parameters for binding of some halogenated inhibitors of human protein kinase CK2

The interaction of human CK2α with a series of tetrabromobenzotriazole (TBBt) and tetrabromobenzimidazole (TBBz) analogs, in which one of the bromine atoms proximal to the triazole/imidazole ring is replaced by a methyl group, was studied by biochemical (IC50) and biophysical methods (thermal stability of protein-ligand complex monitored by DSC and fluorescence). Two newly synthesized tri-bromo derivatives display inhibitory activity comparable to that of the reference compounds, TBBt and TBBz, respectively. DSC analysis of the stability of protein-ligand complexes shows that the heat of ligand binding (Hbind) is driven by intermolecular electrostatic interactions involving the triazole/imidazole ring, as indicated by a strong correlation between Hbind and ligand pKa. Screening, based on fluorescence-monitored thermal unfolding of protein-ligand complexes, gave comparable results, clearly identifying ligands that most strongly bind to the protein. Overall results, additionally supported by molecular modeling, confirm that a balance of hydrophobic and electrostatic interactions contribute predominantly, relative to possible intermolecular halogen bonding, in binding of the ligands to the CK2α ATP-binding site.

SERINE/THREONINE PAK1 INHIBITORS

Compounds having the formula I wherein A, Z, R1a, R1b, R2, R3, R4, R5, R6, R7, R9, R10, Ra, Rb and n are as defined herein are inhibitors of PAK1. Also disclosed are compositions and methods for treating cancer and hyperproliferative disorders.

NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS

This invention relates to novel compounds which are antagonists or inverse agonists at one or more of the opioid receptors, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy.