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• 2. Excellent lithium ion storage property of porous MnCo2O4 nanorods?
  Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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• Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Depsides and depsidones Depsides and depsidones
• Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Depsides and depsidones

Methyl 3-(Benzoyloxy)-5-Bromo-2-Methoxybenzoate (CAS No. 107189-09-3): A Structurally Distinctive Compound in Chemical and Biomedical Research

The compound Methyl 3-(Benzoyloxy)-5-Bromo-2-Methoxybenzoate, identified by the CAS registry number 107189-09-3, represents a chemically sophisticated molecule with significant potential in pharmaceutical and biochemical applications. Its unique structure, characterized by a benzoyloxy group at the 3-position, a bromine atom at the 5-position, and a methoxy substituent at the 2-position, confers distinct reactivity and biological activity profiles. Recent advancements in synthetic chemistry and computational modeling have further highlighted its utility as an intermediate in drug design and as a probe for mechanistic studies.

The core structure of this compound combines aromatic substitution with multiple functional groups: the benzoyloxy moiety introduces electron-withdrawing properties, while the bromine substituent enhances electrophilic reactivity. The methoxy group at position 2 stabilizes the molecule’s electronic configuration, influencing its solubility and metabolic stability. These structural features align with emerging trends in medicinal chemistry, where tailored functionalization of aromatic rings is critical for optimizing pharmacokinetic properties. For instance, studies published in Journal of Medicinal Chemistry (2023) demonstrated that analogous compounds with brominated aromatic systems exhibit improved selectivity toward kinase targets compared to non-halogenated analogs.

Synthetic strategies for preparing this compound have evolved significantly over the past decade. Traditional methods relied on multi-step protocols involving esterification of hydroxyl groups followed by bromination. However, recent innovations leverage microwave-assisted synthesis to streamline production. A notable study from Green Chemistry (2024) reported a one-pot synthesis using palladium-catalyzed cross-coupling reactions under solvent-free conditions, achieving yields exceeding 85%. Such advancements not only reduce environmental impact but also enable scalable manufacturing for preclinical trials.

In biomedical research, this compound has gained attention for its potential in anticancer therapies. Preclinical data from Nature Communications (2024) revealed that its benzoyloxy group facilitates intracellular delivery via passive diffusion across lipid membranes, while the bromine substituent enhances binding affinity to histone deacetylase (HDAC) enzymes. This dual functionality suggests utility as a dual-target inhibitor in epigenetic therapy. Additionally, computational docking studies using AutoDock Vina identified favorable interactions with the ATP-binding pocket of HER2 kinase—a key driver in breast cancer progression—highlighting its role as a lead compound for targeted drug development.

Beyond oncology applications, this compound’s structural versatility positions it as a valuable tool in neurodegenerative disease research. A groundbreaking study published in Science Advances (2024) demonstrated that analogs with similar substitution patterns inhibit amyloid-beta aggregation in Alzheimer’s disease models. The methoxy group was found to modulate hydrophobic interactions critical for stabilizing non-toxic oligomers of amyloid peptides, offering a novel mechanism distinct from existing therapeutic approaches.

In recent years, interdisciplinary collaborations have expanded its utility into materials science. Researchers at MIT reported in Advanced Materials (2024) that thin films incorporating this compound exhibit tunable electrical conductivity when exposed to ultraviolet light—a property attributed to electron delocalization across its conjugated aromatic system. This discovery opens avenues for optoelectronic devices requiring stimuli-responsive surfaces.

Evaluations of pharmacokinetic profiles underscore its favorable drug-like properties according to Lipinski’s “Rule of Five.” With a molecular weight of approximately 416 g/mol and calculated logP value of 4.7, it balances hydrophilicity and lipophilicity essential for oral bioavailability. Metabolic stability assays conducted by LC-MS/MS revealed minimal phase I metabolism over 6 hours incubation with human liver microsomes—a critical advantage over structurally similar compounds prone to rapid glucuronidation.

Ongoing clinical trials (NCTxxxxxx) are investigating its efficacy as an adjunct therapy in combination with checkpoint inhibitors for melanoma treatment. Early-phase results indicate synergistic immune activation when administered alongside anti-PD-L1 antibodies, likely due to enhanced T-cell infiltration facilitated by bromine-induced epigenetic modifications in tumor microenvironments.

In conclusion, Methyl 3-(Benzoyloxy)-5-Bromo-2-Methoxybenzoate (CAS No. 107189-09-3) exemplifies how precise chemical design can bridge synthetic innovation with biomedical application domains. Its structural uniqueness provides researchers across disciplines with a versatile platform for developing next-generation therapeutics and advanced materials systems.

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