4673-48-7

Usage

InChI:InChI=1/C11H14O3/c1-8-3-4-9(2)10(7-8)14-6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)/p-1

Upstream product

• 91132-29-5 1-(2-cyanoethoxy)-2,5-dimethylbenzene 
• 95-87-4 2,5-Dimethylphenol 
• 107-94-8 chloropropionic acid 

Downstream Products

• 21875-91-2 2,3-dihydro-5,8-dimethyl-4H-1-benzopyran-4-one 
• 91089-42-8 3-(4,6-Dibrom-2,5-dimethyl-phenoxy)-propionsaeure 
• 91332-75-1 3-<2,5-Dicarbamoyl-phenoxy>-propionamid 
• 92252-85-2 3-<2,5-Bis-methoxycarbonyl-phenoxy>-propionsaeure-methylester 
• 915921-54-9 C₁₂H₁₅N₃OS 

Relevant academic research and scientific papers

Synthesis, evaluation and in silico molecular modeling of pyrroyl-1,3,4-thiadiazole inhibitors of InhA

Enoyl acyl carrier protein reductase (ENR) is an essential type II fatty acid synthase (FAS-II) pathway enzyme that is an attractive target for designing novel antitubercular agents. Herein, we report sixty-eight novel pyrrolyl substituted aryloxy-1,3,4-thiadiazoles synthesized by three-step optimization processes. Three-dimensional quantitative structure-activity relationships (3D-QSAR) were established for pyrrolyl substituted aryloxy-1,3,4-thiadiazole series of InhA inhibitors using the comparative molecular field analysis (CoMFA). Docking analysis of the crystal structure of ENR performed by using Surflex-Dock in Sybyl-X 2.0 software indicates the occupation of pyrrolyl substituted aryloxy 1,3,4-thiadiazole into hydrophobic pocket of InhA enzyme. Based on docking and database alignment rules, two computational models were established to compare their statistical results. The analysis of 3D contour plots allowed us to investigate the effect of different substituent groups at different positions of the common scaffold. In vitro testing of ligands using biological assays substantiated the efficacy of ligands that were screened through in silico methods.

SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS

The present invention provides propyl phenoxy ether compounds and pharmaceutically acceptable salts thereof, compositions containing the same and one or more active agents, and methods of administering active agents with the same. The delivery agents of the present invention are well suited for forming non-covalent mixtures with active agents for oral, iπtracolonic, pulmonary, and other routes of administration to animals.

2-IMIDAZOLINYLAMINO HETEROCYCLIC COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS

The subject invention relates to compounds having the structure: STR1 wherein (a) n is an integer from 1 to about 3; (b) X and Y are each independently selected from O, S and CH 2, with at least one of X and Y being O or S;(c) R is unsubstituted, straight or branched chain alkanyl or alkanoxy having from 1 to about 3 non-hydrogen atoms; and(d) R' is selected from hydrogen, methyl, cyano, and halo; pharmaceutical compositions containing such compounds; and the use of such compounds for preventing or treating of disorders modulated by alpha-2 adrenoceptors.

2-IMIDAZOLINYLAMINO HETEROCYCLIC COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS

The subject invention relates to compounds having the structure: STR1 wherein (a) n is an integer from 1 to about 3; (b) X and Y are each independently selected from O, S and CH 2, with at least one of X and Y being O or S;(c) R is unsubstituted, straight or branched chain alkanyl or alkanoxy having from 1 to about 3 non-hydrogen atoms; and(d) R' is selected from hydrogen, methyl, cyano, and halo; pharmaceutical compositions containing such compounds; and the use of such compounds for preventing or treating one or more of respiratory disorders, ocular disorders, and gastrointestinal disorders.