49592-71-4

Basic information

• Product Name: 4-METHYL-3,5-DINITRO METHYL BENZOATE
• Synonyms: 4-METHYL-3,5-DINITRO METHYL BENZOATE;Methyl 4-Methyl-3,5-dinitrobenzoate;ZINC03161141
• CAS NO: 49592-71-4
• Molecular Formula: C₉H₈N₂O₆
• Molecular Weight: 240.17
• Product Categories: Acids and Derivatives
• Mol File: 49592-71-4.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 359.8 °C at 760 mmHg
• Flash Point: 167 °C
• Appearance: /
• Density: 1.435 g/cm³
• Vapor Pressure: 2.32E-05mmHg at 25°C
• Refractive Index: 1.583
• CAS DataBase Reference: 4-METHYL-3,5-DINITRO METHYL BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYL-3,5-DINITRO METHYL BENZOATE(49592-71-4)
• EPA Substance Registry System: 4-METHYL-3,5-DINITRO METHYL BENZOATE(49592-71-4)

Safety Data

• Hazardous Substances Data: 49592-71-4(Hazardous Substances Data)

Usage

General Description

Chemical compound 4-Methyl-3,5-dinitro methyl benzoate, also known as methyl 4-methyl-3,5-dinitrobenzoate, is an organic compound with the molecular formula C9H8N2O5. It is a yellow crystalline solid with a molar mass of 220.17 g/mol. 4-METHYL-3,5-DINITRO METHYL BENZOATE is commonly used in the synthesis of various organic compounds and as an intermediate in the manufacturing of pharmaceuticals and agrochemicals. It is also used in the production of dyes and pigments. 4-Methyl-3,5-dinitro methyl benzoate has potential hazardous properties and should be handled with care due to its reactivity and toxicity.

InChI:InChI=1/C9H8N2O6/c1-5-7(10(13)14)3-6(9(12)17-2)4-8(5)11(15)16/h3-4H,1-2H3

Upstream product

• 67-56-1 methanol 
• 16533-71-4 3,5-dinitro-p-toluic acid 
• 96-98-0 4-methyl-3-nitrobenzoic acid 
• 858006-14-1 1-ethyl-4-methyl-2,3,5-trinitro-benzene 
• 857797-43-4 (6-ethyl-3-methyl-2,4-dinitro-phenyl)-hydrazine 
• 854624-41-2 6-ethyl-3-methyl-2,4-dinitro-aniline 
• 854633-32-2 5-ethyl-2-methyl-1,3-dinitro-benzene 
• 622-96-8 4-methylethylbenzene 
• 74-88-4 methyl iodide 
• 6633-28-9 3,5-dinitro-4-methylbenzoyl chloride 

Downstream Products

• 597562-13-5 methyl 4-[(E)-2-(dimethylamino)ethenyl]-3,5-dinitrobenzenecarboxylate 
• 209341-86-6 4-methyl-3,5-dinitro-benzoic acid hydrazide 
• 1262215-55-3 ethyl N-(4-methyl-3,5-dinitro-phenyl)carbamate 
• 1262215-57-5 ethyl N-(3-amino-4-methyl-5-nitro-phenyl)carbamate 
• 1262215-59-7 ethyl N-(3-fluoro-4-methyl-5-nitro-phenyl)carbamate 
• 1262215-61-1 ethyl N-(3-amino-5-fluoro-4-methylphenyl)carbamate 
• 1262215-63-3 ethyl N-(3-fluoro-4-methyl-5-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)carbamate 
• 1262215-65-5 5-fluoro-6-methyl-N₁-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine 
• 1262215-41-7 N-(3-fluoro-4-methyl-5-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide 
• 1262215-43-9 N-(3-fluoro-4-methyl-5-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethyl-benzamide 
• 125229-13-2 3-hydroxy-4-methyl-5-nitrobenzoic acid methyl ester 
• 33713-02-9 3-methoxy-4-methyl-5-nitrobenzoic acid methyl ester 
• 54591-64-9 3-hydroxy-4-methyl-5-nitrobenzoic acid 
• 1070886-33-7 C₂₆H₂₆Cl₂N₄O₄S 

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.

TYK2 INHIBITORS AND USES THEREOF

Described herein are compounds that are useful in treating a TYK2-mediated disorder. In some embodiments, the TYK2-mediated disorder is an autoimmune disorder, an inflammatory disorder, a proliferative disorder, an endocrine disorder, a neurological disorder, or a disorder associated with transplantation.

FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF

The present invention provides for novel compounds of Formula I and pharmaceutically acceptable salts and solvates thereof which have kinase inhibitor activity. The present invention further provides for pharmaceutical compositions comprising the same as well as methods of treating and preventing a Bcr-Abl, c-Kit or PDGF-R mediated disorder for which one or more kinase inhibitor is indicated, including neoplasia such as chronic myelogenous leukemia or gastrointestinal stromal tumors. The present invention also provides for processes of making the compounds of Formula I, including salts and solvates thereof, and pharmaceutical compositions comprising the same.