108593-44-8

Usage

Uses

Used in Perfumery and Flavor Industry:
3-Methoxy-5-methyl-benzoic acid methyl ester is used as a fragrance ingredient for its sweet and fruity scent, contributing to the creation of various perfumes and enhancing the olfactory experience in cosmetic and personal care products.
3-Methoxy-5-methyl-benzoic acid methyl ester is also used as a flavoring agent in the food and beverage industry, imparting a distinctive taste and aroma to a wide range of products.
Used in Pharmaceutical Industry:
Due to its aromatic and medicinal properties, 3-Methoxy-5-methyl-benzoic acid methyl ester has potential applications in the pharmaceutical industry. It can be utilized in the development of new drugs or as an intermediate in the synthesis of existing medications, offering a broad scope for therapeutic applications.

InChI:InChI=1/C10H12O3/c1-7-4-8(10(11)13-3)6-9(5-7)12-2/h4-6H,1-3H3

Upstream product

• 67-56-1 methanol 
• 62089-34-3 3-methoxy-5-methylbenzoic acid 
• 672-89-9 4-methoxy-6-methyl-2H-pyran-2-one 
• 922-67-8 propynoic acid methyl ester 
• 2615-71-6 3-hydroxy-5-methyl-benzoic acid methyl ester 
• 74-88-4 methyl iodide 
• 95-92-1 oxalic acid diethyl ester 
• 67-64-1 acetone 
• 585-81-9 3-hydroxy-5-methylbenzoic acid 

Downstream Products

• 119650-46-3 2-Iodo-3-methoxy-5-methyl-benzoic acid methyl ester 
• 133357-62-7 methyl 3-(bromomethyl)-5-methoxybenzoate 
• 119650-44-1 (3-methoxy-5-methylphenyl)methanol 
• 913602-79-6 1-(2,2-dimethyl-propionyloxymethyl)-3-methoxy-5-methyl-cyclohexa-2,5-dienecarboxylic acid methyl ester 
• 1126430-76-9 2-(2-chloro-4-pyrimidinyl)-1-[3-methyl-5-(methyloxy)phenyl]ethanone 
• 1174219-68-1 C₁₁H₁₂O₄ 
• 1188271-29-5 2-(2,6-dichloropyrimidin-4-yl)-1-(3-methoxy-5-methylphenyl)ethanone 
• 1217181-42-4 2-(2-chloropyridin-5-yl)-1-(3-methoxy-5-methylphenyl)ethanone 
• 1217181-38-8 2-(2-chloropyridin-4-yl)-1-(3-methoxy-5-methylphenyl)ethanone 
• 1334629-97-8 1-(3-methoxy-5-methylphenyl)-2-(pyridin-4-yl)ethanone 
• 950525-69-6 1-(3-methoxy-5-methylphenyl)-2-[2-methylsulfanylpyrimidin-4-yl)ethanone 
• 1410799-84-6 methyl 5-methoxy-1,3-dimethyl-2,5-cyclohexadiene-1-carboxylate 

Relevant academic research and scientific papers

Synthesis and biological evaluation of new pyrazol-4-ylpyrimidine derivatives as potential ROS1 kinase inhibitors

With the aim of discovering potent and selective kinase inhibitors targeting ROS1 kinase, we designed, synthesized and screened a series of new pyrazol-4-ylpyrimidine derivatives based on our previously discovered lead compound KIST301072. Compounds 6a-e and 7a-e showed good to excellent activities against ROS1 kinase, and seven out of tested compounds were more potent than KIST301072. Compound 7c was the most potent with IC50 of 24 nM. Moreover, compound 7c showed ROS1 inhibitory selectivity of about 170-fold, relative to that of ALK sharing about 49% amino acid sequence homology with ROS1 kinase in the kinase domain. In silico modeling of 7c at ROS1 active site revealed some essential features for ROS1 inhibitory activity. Based on this study as well as the previous studies, we could build a hypothetical model predicting the required essential features for ROS1 inhibitory activity. The model validity has been tested through a second set of compounds.

Design, Synthesis, and In Vitro Cytotoxic Activity of Certain 2-[3-Phenyl-4-(pyrimidin-4-yl)-1H-pyrazol1-yl]acetamide Derivatives

Abstract: With a view to finding new anticancer agents, different aryloxy groups wereattached to C2 of the pyrimidine ring in2-[3-phenyl-4-(pyrimidin-4-yl)-1H-pyrazol-1-yl]acetamide in five steps using methyl3-methoxy-5-methylbenzoate as the ke

PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE

Disclosed herein are novel pyrazole compounds, pharmaceutically acceptable salts thereof, a method for preparing the same, and uses thereof as anticancer agents.

Design and synthesis of new potent anticancer pyrazoles with high FLT3 kinase inhibitory selectivity

A new series of 1H- and 2H-pyrazole derivatives (35 final compounds) has been designed and synthesized in this study. A selected group (13 compounds) was then tested over a panel of 60 cancer cell lines at a single dose concentration of 10 μM. At this concentration, six compounds have showed moderate to strong mean inhibitions, and were further tested at five-dose testing mode to determine their IC50 over the 60 cell lines. The IC50 values of the tested compounds indicated high potency (as for compound 10f) as well as high efficacy (as for compound 11e). Accordingly, compound 10f was then tested at a single dose concentration of 10 μM over a panel of 54 kinases to determine its kinase inhibitory profile. The compound has showed good selectivity towards FLT3 kinase, associated with a moderate potency, with an IC50 value of 1.74 μM.

New phenylaminopyrimidine (PAP) anticancer lead compound with high efficacy: Design, synthesis, and in vitro screening

Phenylaminopyrimidines represent a large group of new selective anticancer agents, the majority of which exert their action through the inhibition of specific kinases. In this study, a new series of N-substituted-2- aminopyrimidines has been designed and synthesized. A selected group of the synthesized derivatives was screened at a single dose concentration of 10 μM over a panel of 60 cancer cell-lines. Compound 12e has showed great inhibitory and strong lethal effect over almost all of the 60 cell-lines and accordingly was further tested in a 5-dose testing mode to determine its IC50 values, where it showed great efficacies with intermediate potencies over the tested cell-lines. The compound was also tested over a panel of 52 kinases to explore its kinase inhibitory profile, and was found to be a selective but moderate inhibitor over FLT3 kinase.

A synthetic route to 1,3-dihydroisobenzofuran natural products: the synthesis of methyl ethers of pestacin

A synthetic route to 1-(2,6-dihydroxyphenyl)phthalan natural products is described. It is typified by the synthesis of permethyl and monomethyl ethers (21 and 22) of pestacin (1), a 1,3-dihydroisobenzofuran natural product. The key step is hydrodeoxygenation of the corresponding isobenzofuranone 19 in 2 steps: reduction and intramolecular etherification. A route involving hydrodesulfurization of a thionophthalide to a phthalan (e.g., 8) is also reported.

Design, synthesis and biological evaluation of new potent and highly selective ROS1-tyrosine kinase inhibitor

ROS1 protein is a receptor tyrosine kinase that has been reported mainly in meningiomas and astrocytomas, and until now, there is no selective inhibitor for this kinase. In this study, we illustrate for the synthesis of a highly potent and selective inhib

Design, synthesis, screening, and molecular modeling study of a new series of ROS1 receptor tyrosine kinase inhibitors

A series of rationally designed ROS1 tyrosine kinase inhibitors was synthesized and screened. Compound 12b has showed good potency with IC50 value of 209 nM, which is comparable with that of the reference lead compound 1. Molecular modeling studies have been performed, that is, a homology model for ROS1 was built, and the screened inhibitors were docked into its major identified binding site. The docked poses along with the activity data have revealed a group of the essential features for activity. Overall, simplification of the lead compound 1 into compound 12b has maintained the activity, while facilitated the synthetic advantages. A molecular interaction model for ROS1 kinase and inhibitors has been proposed.

THIAZOLE AND OXAZOLE KINASE INHIBITORS

The present invention provides thiazole and oxazole compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

Novel Compounds

There is provided a compound of formula (I): processes for the manufacture thereof, pharmaceutical compositions thereof and uses in therapy.