95192-64-6

Basic information

• Product Name: 5-BROMO-2-METHYL-1,3-DINITROBENZENE
• Synonyms: 5-BROMO-2-METHYL-1,3-DINITROBENZENE;5-Bromo-1,3-dinitro-2-methylbenzene;2,6-dinitro-4-bromo-tolurene
• CAS NO: 95192-64-6
• Molecular Formula: C₇H₅BrN₂O₄
• Molecular Weight: 261.03
• EINECS: 200-258-5
• Mol File: 95192-64-6.mol
• Article Data: 12

Chemical Properties

• Melting Point: 86-88°C
• Boiling Point: 314.2°Cat760mmHg
• Flash Point: 143.8°C
• Appearance: /
• Density: 1.793
• Vapor Pressure: 0.000871mmHg at 25°C
• Refractive Index: 1.63
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 5-BROMO-2-METHYL-1,3-DINITROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BROMO-2-METHYL-1,3-DINITROBENZENE(95192-64-6)
• EPA Substance Registry System: 5-BROMO-2-METHYL-1,3-DINITROBENZENE(95192-64-6)

Safety Data

• Hazard Codes: Xi
• RIDADR: UN2811
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 95192-64-6(Hazardous Substances Data)

Usage

General Description

5-Bromo-2-methyl-1,3-dinitrobenzene is a chemical compound with the molecular formula C7H6BrN3O4. It is a yellow solid that is commonly used as a building block in the synthesis of various organic compounds, such as pharmaceuticals and dyes. 5-BROMO-2-METHYL-1,3-DINITROBENZENE is highly reactive and can undergo various chemical reactions, including nitration and substitution reactions. It is important to handle this chemical with care, as it is toxic and may cause skin irritation upon contact. Additionally, it is flammable and should be stored and handled in a well-ventilated area.

InChI:InChI=1/C7H5BrN2O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,1H3

Upstream product

• 60956-26-5 4-bromo-2-nitrotoluene 
• 19406-51-0 4-Amino-2,6-dinitrotoluene 
• 100959-47-5 6-bromo-3-methyl-2,4-dinitro-aniline 
• 16533-71-4 3,5-dinitro-p-toluic acid 
• 527-84-4 2-methylisopropylbenzene 
• 101421-17-4 3,4-dibromo-2,6-dinitro-toluene 
• 854403-39-7 1,2-dibromo-4-isopropyl-5-methyl-benzene 
• 101580-70-5 4,5-dibromo-2-nitro-toluene 
• 858843-71-7 2-bromo-4-methyl-3,5-dinitro-aniline 
• 606-20-2 2,6-dinitrotoluene 

Downstream Products

• 16533-71-4 3,5-dinitro-p-toluic acid 
• 95192-56-6 4-bromo-2,6-dinitrobenzoic acid 
• 350800-78-1 (E)-[2-(4-bromo-2,6-dinitro-phenyl)-vinyl]-dimethyl-amine 
• 350800-81-6 6-bromo-1H-indol-4-ylamine 
• 864550-40-3 5-bromo-2-methyl-3-nitroaniline 
• 1079039-13-6 C₇H₄BrClN₂O₄ 
• 502496-34-6 5-bromo-1-fluoro-2-methyl-3-nitrobenzene 
• 1312454-86-6 2-amino-4-bromo-6-fluorobenzoic acid 
• 864550-41-4 5-bromo-2-methyl-3-nitrophenol 
• 885519-07-3 5-bromo-1-methoxy-2-methyl-3-nitrobenzene 
• 393553-57-6 6-bromo-4-methoxyindole 
• 885518-50-3 6-bromo-1H-indazole-4-amine 

Relevant articles and documents

X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson’s Disease

Human indoleamine 2,3-dioxygenase 1 (hIDO1) and tryptophan 2,3-dioxygenase (hTDO) have been closely linked to the pathogenesis of Parkinson’s disease (PD); nevertheless, development of dual hIDO1 and hTDO inhibitors to evaluate their potential efficacy against PD is still lacking. Here, we report biochemical, biophysical, and computational analyses revealing that 1H-indazole-4-amines inhibit both hIDO1 and hTDO by a mechanism involving direct coordination with the heme ferrous and ferric states. Crystal structure-guided optimization led to23, which manifested IC50values of 0.64 and 0.04 μM to hIDO1 and hTDO, respectively, and had good pharmacokinetic properties and brain penetration in mice.23showed efficacy against the 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine-induced mouse motor coordination deficits, comparable to Madopar, an anti-PD medicine. Further studies revealed that different from Madopar,23likely has specific anti-PD mechanisms involving lowering IDO1 expression, alleviating dopaminergic neurodegeneration, reducing inflammatory cytokines and quinolinic acid in mouse brain, and increasing kynurenic acid in mouse blood.

Method for preparing 1H-indazole derivative

The invention discloses a method for preparing a 1H-indazole derivative. The method takes a compound as a formula (A1) or a compound as a formula (A2) as raw materials, and the compound as the formula(A1) and the compound as the formula (A2) are subjected

Polysubstituted-indazole compounds and application of same as IDO inhibitors

The invention discloses polysubstituted-indazole compounds as shown in a formula (I) which is described in the specification, a preparation method for the compounds, and application of the compounds as IDO inhibitors. The compounds provided by the invention can be used for preventing and/or treating a plurality of diseases, such as Alzheimer's disease, cataract, infections related to cellular immune activation, autoimmune diseases, AIDS, cancers, depression, the metabolic disorder of tryptophan or the like.