42590-00-1

Usage

Uses

Used in Pharmaceutical Industry:
Methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate is utilized as an intermediate in the synthesis of various medications, contributing to the development of new therapeutic agents.
Used in Dye and Pigment Production:
In the dye and pigment industry, Methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate serves as an intermediate, playing a crucial role in the production of certain dyes and pigments, enhancing their color properties and performance.
Safety Considerations:
Given its potentially hazardous nature, Methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate should be handled with care to ensure safety in both industrial and laboratory settings.

InChI:InChI=1/C9H9NO6/c1-15-7-4-5(9(12)16-2)3-6(8(7)11)10(13)14/h3-4,11H,1-2H3

Upstream product

• 3943-74-6 4-hydroxy-3-methoxybenzoic acid methyl ester 
• 60-29-7 diethyl ether 
• 7697-37-2 nitric acid 
• 121-34-6 3-methoxy-4-hydroxybenzoic acid 
• 67-56-1 methanol 
• 15785-54-3 5-nitrovanillic acid 

Downstream Products

• 149082-19-9 3-methoxy-5-nitro-4-(trifluoromethanesulfonyl)benzoic acid methyl ester 
• 63603-09-8 methyl 4-chloro-3-methoxy-5-nitrobenzoate 
• 15785-54-3 5-nitrovanillic acid 
• 149082-10-0 4-iodo-3-methoxy-5-nitrosobenzoic acid methyl ester 
• 149082-20-2 4-iodo-3-methoxy-5-nitrobenzoic acid methyl ester 
• 149082-12-2 3-(3,6-dihydro-6-(hydroxymethyl)-6-methoxy-2H-1,2-oxazin-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester 
• 63603-16-7 2-chloro-3-nitro-5-bromoanisole 
• 63603-12-3 2-chloro-3-methoxy-5-bromoaniline 
• 1402714-41-3 5-[3-(2,5-dichloro-4,6-dimethyl-1-oxy-pyridin-3-yl)-[1,2,4]oxadiazol-5-yl]-2-hydroxy-3-methoxy-1-nitrobenzene 
• 923287-50-7 2,5-dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxide 
• 1391712-50-7 5-[3-(2,5-dichloro-4,6-dimethyl-pyridin-3-yl)-[1,2,4]oxadiazol-5-yl]-2-hydroxy-3-methoxy-1-nitrobenzene 

Relevant academic research and scientific papers

Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics

Despite extensive research on small molecule thrombin inhibitors for oral application in the past decades, only a single double prodrug with very modest oral bioavailability has reached human therapy as a marketed drug. We have undertaken major efforts to identify neutral, non-prodrug inhibitors. Using a holistic analysis of all available internal data, we were able to build computational models and apply these for the selection of a lead series with the highest possibility of achieving oral bioavailability. In our design, we relied on protein structure knowledge to address potency and identified a small window of favorable physicochemical properties to balance absorption and metabolic stability. Protein structure information on the pregnane X receptor helped in overcoming a persistent cytochrome P450 3A4 induction problem. The selected compound series was optimized to a highly potent, neutral, non-prodrug thrombin inhibitor by designing, synthesizing, and testing derivatives. The resulting optimized compound, BAY1217224, has reached first clinical trials, which have confirmed the desired pharmacokinetic properties.

HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS

Heterocyclic compounds of Formula (I), (II), and (III) are described herein along with their polymorphs, stereoisomers, prodrugs, solvates, co-crystals, intermediates, pharmaceutically acceptable salts, and metabolites thereof. The compounds described herein, their polymorphs, stereoisomers, prodrugs, solvates, co-crystals, intermediates, pharmaceutically acceptable salts, and metabolites thereof are PAD4 inhibitors and may be useful in the treatment of various disorders, for example rheumatoid arthritis, vasculitis, systemic lupus erythematosis, cutaneous lupus erythematosis, ulcerative colitis, cancer, cystic fibrosis, asthma, multiple sclerosis and psoriasis.

Benzimidazolecarboxylic acid fragment in GSK484 and preparation method of benzimidazolecarboxylic acid fragment

The invention discloses a preparation method of a benzimidazolecarboxylic acid fragment in GSK484, and belongs to the field of chemical and pharmaceutical intermediates, wherein the benzimidazolecarboxylic acid fragment has a chemical name of 1-methyl-2-(

Peptidylarginine deiminase inhibitor and application thereof

The invention belongs to the technical field of medicine, and particularly relates to a peptidylarginine deiminase PAD4 inhibitor compound shown in a formula (I) or pharmaceutically acceptable salts,stereoisomers and tautomers thereof, as well as pharmaceutical compositions, pharmaceutical preparations and application thereof. X, Y, R1, R2, R3, R4, R5, R7, R8, R9, ring B and m are as defined in the specification. The compound has inhibitory effect on peptidylarginine deiminase PAD4, and can be used for treating various diseases, such as rheumatoid arthritis, vasculitis, systemic lupus erythematosus, ulcerative colitis, multiple sclerosis, cystic fibrosis, cancer, cutaneous lupus erythematosus, asthma and psoriasis.

NEW HETEROCYCLIC COMPOUNDS

The invention provides new heterocyclic compounds having the general formula (IA) wherein A, L, X, Y, m, n, R1 and R2 are as described herein, compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds.

FUSED PYRIMIDINOPIPERIDINE DERIVATIVE, AND MANUFACTURING METHOD AND APPLICATION THEREOF

The present invention relates to the fused pyrimidine piperidine cyclic derivative represented by the following formula (I) and a pharmaceutically acceptable salt thereof and a process for preparing the same, wherein R1, R2, R3

Design and structural analysis of aromatic inhibitors of type II dehydroquinase from mycobacterium tuberculosis

3-Dehydroquinase, the third enzyme in the shikimate pathway, is a potential target for drugs against tuberculosis. Whilst a number of potent inhibitors of the Mycobacterium tuberculosis enzyme based on a 3-dehydroquinate core have been identified, they generally show little or no in vivo activity, and were synthetically complex to prepare. This report describes studies to develop tractable and drug-like aromatic analogues of the most potent inhibitors. A range of carbon-carbon linked biaryl analogues were prepared to investigate the effect of hydrogen bond acceptor and donor patterns on inhibition. These exhibited inhibitory activity in the high-micromolar range. The addition of flexible linkers in the compounds led to the identification of more potent 3-nitrobenzylgallate- and 5-aminoiso-phthalate-based analogues.

CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-O-METHYLTRANSFERASE INHIBITOR

There is disclosed a methylated intermediate which may be demethylated to provide an inhibitor of catechol-O-methyltransferase useful in the treatment of Parkinson's disease. Also disclosed are methods of making and using said intermediate.

Therapeutic Aryl-Amido-Aryl Compounds and Their Use

The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-amido-aryl compounds of the following formula (for convenience, collectively referred to herein as “AAA compounds”), which, inter alia, a

THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE

The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-amido-aryl compounds of the following formula (for convenience, collectively referred to herein as "AAA compounds"), which, inter alia, a