591723-69-2

Basic information

• Product Name: METHYL 3-(5-FORMYL-2-FURYL)BENZOATE
• Synonyms: AKOS BAR-0569;ASISCHEM V56570;ART-CHEM-BB B025501;METHYL 3-(5-FORMYL-2-FURYL)BENZOATE;ZERENEX E/4047575;benzoic acid, 3-(5-formyl-2-furanyl)-, methyl ester;3-(5-formyl-2-furyl)benzoic acid methyl ester;methyl 3-(5-formylfuran-2-yl)benzoate
• CAS NO: 591723-69-2
• Molecular Formula: C13H10O4
• Molecular Weight: 230.22
• Mol File: 591723-69-2.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 403.5°C at 760 mmHg
• Flash Point: 197.8°C
• Appearance: /
• Density: 1.23g/cm³
• Vapor Pressure: 1.02E-06mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: METHYL 3-(5-FORMYL-2-FURYL)BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3-(5-FORMYL-2-FURYL)BENZOATE(591723-69-2)
• EPA Substance Registry System: METHYL 3-(5-FORMYL-2-FURYL)BENZOATE(591723-69-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 591723-69-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H10O4/c1-16-13(15)10-4-2-3-9(7-10)12-6-5-11(8-14)17-12/h2-8H,1H3

Upstream product

• 304884-54-6 5-(3-carboxyphenyl)furane-2-carbaldehyde 
• 67-56-1 methanol 
• 27329-70-0 5-formylfurane-2-boronic acid 
• 618-91-7 methyl 3-iodo-benzoate 
• 1899-24-7 5-bromo-2-furancarboxaldehyde 
• 99769-19-4 [3-(methoxycarbonyl)phenyl]boronic acid 
• 618-89-3 methyl 3-bromobenzoate 

Downstream Products

• 292065-68-0 C₂₄H₁₈N₂O₆ 

Relevant articles and documents

Discovery of (5-Phenylfuran-2-yl)Methanamine derivatives as new human sirtuin 2 Inhibitors

Human sirtuin 2 (SIRT2), a member of the sirtuin family, has been considered as a promising drug target in cancer, neurodegenerative diseases, type II diabetes, and bacterial infections. Thus, SIRT2 inhibitors have been involved in effective treatment strategies for related diseases. Using previously established fluorescence-based assays for SIRT2 activity tests, the authors screened their in-house database and identified a compound, 4-(5-((3-(quinolin-5-yl)ureido)methyl) furan-2-yl)benzoic acid (20), which displayed 63 ± 5% and 35 ± 3% inhibition against SIRT2 at 100 μM and 10 μM, respectively. The structure-activity relationship (SAR) analyses of a series of synthesized (5-phenylfuran-2-yl)methanamine derivatives led to the identification of a potent compound 25 with an IC50 value of 2.47 μM, which is more potent than AGK2 (IC50 = 17.75 μM). Meanwhile, 25 likely possesses better water solubility (cLogP = 1.63 and cLogS = ?3.63). Finally, the molecular docking analyses indicated that 25 fitted well with the induced hydrophobic pocket of SIRT2.

Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport

Artificial ligands of streptavidin (ALiS) with association constants of 106 M-1 were discovered by high-throughput screening of our chemical library, and their binding characteristics, including X-ray crystal structure of the streptavidin complex, were determined. Unlike biotin and its derivatives, ALiS exhibits fast dissociation kinetics and excellent cell permeability. The streptavidin-ALiS system provides a novel, practical compound-dependent methodology for repeated reversible cycling of protein localization between intracellular organella.

Design, synthesis, and antibiofilm activity of 2-arylimino-3-aryl-thiazolidine-4-ones

A series of novel 2-arylimino-3-aryl-thiazolidine-4-ones was designed, synthesized and tested for in vitro antibiofilm activity against Staphylococcus epidermidis. Among them tested, some compounds with carboxylic acid groups showed good antibiofilm activity. The antibiofilm concentration of 1x was 6.25 μM. The structure-activity relationships revealed that incorporation of 2-phenylfuran moiety could greatly enhance antibiofilm activity of thiazolidine-4-one.