Methyl salicylate

Methyl salicylate Structure
Methyl salicylate structure
Common Name Methyl salicylate
CAS Number 90045-28-6 Molecular Weight 152.14700
Density 1.181 g/mL at 25 °C(lit.) Boiling Point N/A
Molecular Formula C8H8O3 Melting Point N/A
MSDS Chinese USA Flash Point 96℃
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental drug discovery projects toward safer medicines. In this st...

Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.

J. Med. Chem. 51 , 6740-51, (2008)

The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared and assayed 33 coumarin derivatives, and the theoretical pr...

Structure-activity relationship of salicylic acid derivatives on inhibition of TNF-α dependent NFκB activity: Implication on anti-inflammatory effect of N-(5-chlorosalicyloyl)phenethylamine against experimental colitis.

Eur. J. Med. Chem. 48 , 36-44, (2012)

To develop a more potent NFκB inhibitor from salicylic acid which is known to inhibit activity of NFκB, a transcription factor regulating genes involved in immunity, inflammation and tumorigenesis, derivatives of salicylic acid (SA) where the 5 position, carb...

Isosorbide-based aspirin prodrugs: integration of nitric oxide releasing groups.

J. Med. Chem. 52 , 6588-98, (2009)

Aspirin prodrugs and related nitric oxide releasing compounds hold significant therapeutic promise, but they are hard to design because aspirin esterification renders its acetate group very susceptible to plasma esterase mediated hydrolysis. Isosorbide-2-aspi...

Design, synthesis and antileishmanial in vitro activity of new series of chalcones-like compounds: a molecular hybridization approach.

Bioorg. Med. Chem. 19 , 4250-6, (2011)

The chalcone-like series 1a-1g was efficiently synthesized from Morita-Baylis-Hillman reaction (52-74% yields). Compounds 1a-1g were designed by molecular hybridization based on the anti-inflammatory drug methyl salicylate (3) and the antileishmanial moiety o...