528830-98-0

Basic information

• Product Name: 3-(2,3-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
• Synonyms: 3-(2,3-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER;2,3-DIMETHOXY-BETA-OXO-BENZENEPROPANOIC ACID ETHYL ESTER;ethyl 3-(2,3-diMethoxyphenyl)-3-oxopropanoate
• CAS NO: 528830-98-0
• Molecular Formula: C₁₃H₁₆O₅
• Molecular Weight: 252.26
• Mol File: 528830-98-0.mol

Chemical Properties

• Boiling Point: 330.3±27.0 °C(Predicted)
• Appearance: /
• Density: 1.136±0.06 g/cm3(Predicted)
• PKA: 10.67±0.50(Predicted)
• CAS DataBase Reference: 3-(2,3-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,3-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(528830-98-0)
• EPA Substance Registry System: 3-(2,3-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(528830-98-0)

Safety Data

• Hazardous Substances Data: 528830-98-0(Hazardous Substances Data)

Upstream product

• 2150-42-7 methyl 2,3-dimethoxybenzoate 
• 141-78-6 ethyl acetate 
• 1521-38-6 2,3-dimethoxybenzoic acid 
• 6148-64-7 ethyl potassium malonate 
• 38480-94-3 2,3-dimethoxyacetophenone 
• 105-58-8 Diethyl carbonate 

Downstream Products

• 38480-94-3 2,3-dimethoxyacetophenone 
• 948904-87-8 C₂₃H₂₆O₈ 
• 98305-35-2 2-Amino-6-(2,3-dimethoxy-phenyl)-5-iodo-3H-pyrimidin-4-one 
• 98305-34-1 2-Amino-5-bromo-6-(2,3-dimethoxy-phenyl)-3H-pyrimidin-4-one 
• 98305-33-0 2-Amino-5-chloro-6-(2,3-dimethoxy-phenyl)-3H-pyrimidin-4-one 

Relevant articles and documents

Identification of Novel Coumestan Derivatives as Polyketide Synthase 13 Inhibitors against Mycobacterium tuberculosis

Inhibition of the mycolic acid pathway has proven a viable strategy in antitubercular drug discovery. The AccA3/AccD4/FadD32/Pks13 complex of Mycobacterium tuberculosis constitutes an essential biosynthetic mechanism for mycolic acids. Small molecules targeting the thioesterase domain of Pks13 have been reported, including a benzofuran-based compound whose X-ray cocrystal structure has been very recently solved. Its initial inactivity in a serum inhibition titration (SIT) assay led us to further probe other structurally related benzofurans with the aim to improve their potency and bioavailability. Herein, we report our preliminary structure-activity relationship studies around this scaffold, highlighting a natural product-inspired cyclization strategy to form coumestans that are shown to be active in SIT. Whole genome deep sequencing of the coumestan-resistant mutants confirmed a single nucleotide polymorphism in the pks13 gene responsible for the resistance phenotype, demonstrating the druggability of this target for the development of new antitubercular agents.

GLUCOKINASE ACTIVATORS

Compounds, pharmaceutical compositions, kits and methods are provided for use with glucokinase that comprise a compound selected from the group consisting of: wherein the variables are as defined herein.