49592-71-4

Usage

Uses

Used in Pharmaceutical Industry:
4-METHYL-3,5-DINITRO METHYL BENZOATE is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 4-METHYL-3,5-DINITRO METHYL BENZOATE is utilized as an intermediate in the production of agrochemicals. Its properties make it suitable for the creation of compounds that can be used in pest control and crop protection, thereby supporting agricultural productivity.
Used in Dye and Pigment Production:
4-METHYL-3,5-DINITRO METHYL BENZOATE is employed as a starting material in the synthesis of dyes and pigments. Its chemical structure is integral to the development of colorants used in various industries, including textiles, plastics, and printing inks, for their vibrant and stable color properties.
Used in Organic Synthesis:
As a versatile organic compound, 4-METHYL-3,5-DINITRO METHYL BENZOATE is used in organic synthesis for the preparation of a wide range of chemical products. Its reactivity allows it to participate in various chemical reactions, facilitating the creation of new compounds with diverse applications.

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

Downstream Products

• 1176201-03-8 C₁₂H₁₃N₃O₆ 
• 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 academic research and scientific papers

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.

EZH2 INHIBITOR AND PHARMACEUTICALLY ACCEPTABLE SALTS AND POLYMORPHIC SUBSTANCES THEREOF, AND APPLICATION OF EZH2 INHIBITOR

The present invention provides an EZH2 inhibitor and pharmaceutically acceptable salts and polymorphic substances thereof, and application of the EZH2 inhibitor. Specifically, the present invention provides N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)m

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.

4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES

Provided are 4,5,6-tri-substituted indazoles derivatives, a preparation method therefor, and a use thereof in medicines. Specifically, provided are compounds of formula (I) or pharmaceutically acceptable salts, stereoisomers, solvates, or prodrugs thereof

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.

Orally active zwitterionic factor Xa inhibitors with long duration of action

We have optimized 2-aminomethylphenylamine derivative as a factor Xa inhibitor. Several polar functional groups were introduced in the central phenyl ring, and we focused on zwitter ionic compound showing continuous inhibitory activity in oral administrat

Second generation of BACE-1 inhibitors part 3: Towards non hydroxyethylamine transition state mimetics

Our first generation of hydroxyethylamine BACE-1 inhibitors proved unlikely to provide molecules that would lower amyloid in an animal model at low oral doses. This observation led us to the discovery of a second generation of inhibitors having nanomolar activity in a cell-based assay and with the potential for improved pharmacokinetic profiles. In this Letter, we describe our successful strategy for the optimization of oral bioavailability and also give insights into the design of compounds with the potential for improved brain penetration.

Second generation of BACE-1 inhibitors. Part 1: The need for improved pharmacokinetics

Inhibition of the aspartyl protease BACE-1 has the potential to deliver a disease-modifying therapy for Alzheimer's disease. We have recently disclosed a series of transition-state mimetic BACE-1 inhibitors showing nanomolar potency in cell-based assays.

Aspartic protease inhibitors via C1-homologation of peptidic aldehydes and studies on reduced amide isosteres

(R)-Configured isophthalic hydroxyethylamines play an important role in the inhibition of β-secretase (BACE1). We present the synthesis of a number of (S)-configured hydroxyethylamine derivatives via 2-iodoethanol intermediates and the comparison with the

TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE

The present invention relates to novel hydroxyethylamine compounds having Asp2 (β-secretase, BACE1 or Memapsin) inhibitory activity of formula (I), processes for their preparation, to compositions containing them and to their use in the treatment of diseases characterised by elevated β-amyloid levels or β-amyloid deposits, particularly Alzheimer's disease. Formula (I) wherein, inter alia, A-B represents -NR5-SO2- or -NR5-CO-; R5 represents hydrogen, C1-6alkyl, C3-6 alkenyl, C3-6 alkynyl, C3-10 cycloalkyl, -C0-6 alkylaryl, -C0-6 alkyl-heteroaryl, -C0-6 alkyl-heterocyclyl, -C3-10 cycloalkyl-aryl or -C3-10 cycloalkyl-heteroaryl; -W- represents -CH2-, -(CH2)2-, -(CH2)3-, -C(H)=C(H)- or -CH2-C(H)=C(H)-; X-Y-Z represents -C=CR8-NR9-;