156006-08-5

Basic information

• Product Name: CHEMBRDG-BB 6164257
• Synonyms: CHEMBRDG-BB 6164257;7-(1-METHYL-2-OXOPROPOXY)-2H-CHROMEN-2-ONE;OTAVA-BB 7210430016;7-(1-methyl-2-oxopropoxy)-2H-chromen-2-one(SALTDATA: FREE);7-(1-methyl-2-oxopropoxy)-2-chromenone;7-(1-methyl-2-oxo-propoxy)chromen-2-one;7-(2-keto-1-methyl-propoxy)coumarin;7-(3-oxobutan-2-yloxy)chromen-2-one
• CAS NO: 156006-08-5
• Molecular Formula: C13H12O4
• Molecular Weight: 232.23
• Mol File: 156006-08-5.mol

Chemical Properties

• Boiling Point: 404.1°C at 760 mmHg
• Flash Point: 182.1°C
• Appearance: /
• Density: 1.234g/cm³
• Vapor Pressure: 9.71E-07mmHg at 25°C
• Refractive Index: 1.554
• CAS DataBase Reference: CHEMBRDG-BB 6164257(CAS DataBase Reference)
• NIST Chemistry Reference: CHEMBRDG-BB 6164257(156006-08-5)
• EPA Substance Registry System: CHEMBRDG-BB 6164257(156006-08-5)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 156006-08-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
CHEMBRDG-BB 6164257 is used as a therapeutic agent for the treatment of metabolic diseases and cancer. Its ability to inhibit ATP citrate lyase may help regulate the production of fatty acids and cholesterol, offering potential benefits in managing these conditions.
Used in Research and Development:
CHEMBRDG-BB 6164257 is used as a tool compound in research on the role of ATP citrate lyase in various biological processes. This can help scientists better understand the enzyme's function and its potential as a target for drug development.
Further research is needed to explore the full potential of CHEMBRDG-BB 6164257 in these applications and to identify any additional uses in other industries.

InChI:InChI=1/C13H12O4/c1-8(14)9(2)16-11-5-3-10-4-6-13(15)17-12(10)7-11/h3-7,9H,1-2H3

Upstream product

• 93-35-6 7-hydroxy-2H-chromen-2-one 
• 4091-39-8 3-chloro-2-butanone 

Downstream Products

• 4196-58-1 4',5'-dimethylpsoralen 

Relevant articles and documents

A fluorescence-based assay for Baeyer-Villiger monooxygenases, hydroxylases and lactonases

Alkylation of umbelliferone and nitrophenol with chloroacetone, 3-chlorobutanone, 2-chlorocyclopentanone and 2-chlorocyclohexanone gave the corresponding 2-coumaryloxy and 2-nitrophenoxy ketones. The 2-coumaryloxy ketones were used as fluorogenic substrates to detect Baeyer-Villiger monooxygenases activities of microbial cultures in highthroughput using microtiter plates. The 2-coumaryloxy ketones were oxidized by microorganisms producing Baeyer-Villiger monooxygenases (BVMO), releasing umbelliferone as a fluorescent signal. The substrates were also biotransformed by a microbial monooxygenase (Trichosporon cutaneum). Chemical Baeyer-Villiger oxidation of 2-coumaryloxy ketones using meta-chloroperbenzoic acid proceeded regioselectively to the corresponding acyloxyalkyl derivatives of umbelliferone and nitrophenol. These chiral lactones underwent a fluorogenic and chromogenic reaction upon hydrolysis by esterases, in particular pig liver esterase. Enantioselectivity of the ester hydrolysis reaction was determined by chiral-phase analysis of the unreacted lactones.

Synthesis and characterization of new methylpsoralens as potential photochemotherapeutic agents

Three new psoralens with methyl groups on carbons involved in their reactive double bonds (compounds 9-11 in Scheme 1) were synthesized from the corresponding 7-hydroxycoumarins by cyclization of acetonyl derivatives of the latter in an alkaline medium. In preliminary tests, the new methyl-substituted psoralens exhibited considerable interaction in the dark with DNA, good photoreactivity against the macromolecule, and also interesting antiproliferative activity.