63057-72-7

Basic information

• Product Name: 1-(BENZYLOXY)-4-BROMO-2-METHOXYBENZENE
• Synonyms: 4-Bromo-2-methoxy-1-phenylmethoxybenzene;Benzene, 4-bromo-2-methoxy-1-(phenylmethoxy)-
• CAS NO: 63057-72-7
• Molecular Formula: C₁₄H₁₃BrO₂
• Molecular Weight: 293.16
• Mol File: 63057-72-7.mol
• Article Data: 19

Chemical Properties

• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-(BENZYLOXY)-4-BROMO-2-METHOXYBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(BENZYLOXY)-4-BROMO-2-METHOXYBENZENE(63057-72-7)
• EPA Substance Registry System: 1-(BENZYLOXY)-4-BROMO-2-METHOXYBENZENE(63057-72-7)

Safety Data

• Hazardous Substances Data: 63057-72-7(Hazardous Substances Data)

Usage

General Description

1-(BENZYLOXY)-4-BROMO-2-METHOXYBENZENE is a chemical compound that belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. The molecular formula of the compound is C14H13BrO3 and it has a molar mass of 319.15 g/mol. It features a benzyl group and two oxygen atoms, one attached to the benzene ring through a single bond (O-CH3, methoxy group) and another one attached through an ether linkage (benzyloxy). The bromine atom provides reactivity towards nucleophilic substitution reactions and makes this compound useful in organic synthesis processes. It is typically in a solid state and requires careful handling due to its potentially reactive nature.

Upstream product

• 7368-78-7 4-bromoguaiacol 
• 100-44-7 benzyl chloride 
• 100-39-0 benzyl bromide 
• 2316-64-5 5-bromo-2-hydroxybenzyl alcohol 
• 1486-52-8 3-methoxy-4-benzyloxybenzoyl chloride 

Downstream Products

• 64881-05-6 1-<4-(benzyloxy)-3-methoxyphenyl>ethan-2-ol 
• 845655-19-8 1-(4-Benzyloxy-3-methoxy-phenyl)-1H-pyrazole 
• 1141975-63-4 C₂₂H₂₁NO₅ 
• 1393827-45-6 2-(benzyloxy)-3-methoxyacridin-9(10H)-one 
• 1393827-48-9 2-(benzyloxy)-6,7-difluoro-3-methoxyacridin-9(10H)-one 
• 1141975-67-8 C₂₁H₁₇F₂NO₄ 
• 1141975-52-1 C₂₁H₁₉NO₄ 
• 1141975-59-8 C₂₅H₂₁NO₄ 
• 1565797-98-9 6-methoxy-2-((1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl)benz[d]thiazole-5-ol 
• 1565797-07-0 2-((1E,3E)-4-(4-aminophenyl)buta-1,3-dienyl)-6-methoxybenzo[d]thiazole-5-ol 
• 1565797-93-4 5-(benzyloxy)-6-methoxy-2-methylbenz[d]thiazole 
• 1565797-92-3 N-(5-(benzyloxy)-2-bromo-4-methoxyphenyl)ethanethioamide 
• 1565797-91-2 N-(5-(benzyloxy)-2-bromo-4-methoxyphenyl)acetamide 
• 1565797-90-1 5-(benzyloxy)-2-bromo-4-methoxyaniline 

Relevant articles and documents

Structure-based design, docking and binding free energy calculations of a366 derivatives as spindlin1 inhibitors

The chromatin reader protein Spindlin1 plays an important role in epigenetic regulation, through which it has been linked to several types of malignant tumors. In the current work, we report on the development of novel analogs of the previously published lead inhibitor A366. In an effort to improve the activity and explore the structure–activity relationship (SAR), a series of 21 derivatives was synthesized, tested in vitro, and investigated by means of molecular modeling tools. Docking studies and molecular dynamics (MD) simulations were performed to analyze and rationalize the structural differences responsible for the Spindlin1 activity. The analysis of MD simulations shed light on the important interactions. Our study highlighted the main structural features that are required for Spindlin1 inhibitory activity, which include a positively charged pyrrolidine moiety embedded into the aromatic cage connected via a propyloxy linker to the 2-aminoindole core. Of the latter, the amidine group anchor the compounds into the pocket through salt bridge interactions with Asp184. Different protocols were tested to identify a fast in silico method that could help to discriminate between active and inactive compounds within the A366 series. Rescoring the docking poses with MM-GBSA calculations was successful in this regard. Because A366 is known to be a G9a inhibitor, the most active developed Spindlin1 inhibitors were also tested over G9a and GLP to verify the selectivity profile of the A366 analogs. This resulted in the discovery of diverse selective compounds, among which 1s and 1t showed Spindlin1 activity in the nanomolar range and selectivity over G9a and GLP. Finally, future design hypotheses were suggested based on our findings.

SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS

The present disclosure relates to substituted fused bi- or tri- heterocyclic compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating a disorder (e.g., sickle cell anemia) via inhibit

Anti-inflammatory properties of quebecol and its derivatives

Herein we report our results on the anti-inflammatory activity of quebecol, a polyphenolic compound discovered in maple syrup. Bioassays demonstrated that quebecol has an anti-inflammatory effect on LPS-induced NF-κB activation and inhibits the secretion of two pro-inflammatory cytokines, IL-6 and TNF-α. We also prepared and tested precursors of quebecol and its derivatives corresponding to its substructures of interest, with the aim to study the structure-activity relationships. Comparing the results obtained for all tested compounds allowed the identification of the main moiety responsible for the anti-inflammatory activity of quebecol.