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Introduction to Methyl 3,4,5-Trimethoxy-d₉-benzoate (CAS No. 1182838-07-8)

Methyl 3,4,5-Trimethoxy-d₉-benzoate, identified by the CAS registry number 1182838-07-8, is a synthetically engineered compound characterized by its unique structural features and isotopic labeling properties. This compound belongs to the class of benzoic acid esters with a trimethoxy substitution pattern at positions 3, 4, and 5 of the benzene ring. The inclusion of nine deuterium atoms (^d₉) in its molecular framework distinguishes it from non-deuterated analogs and positions it as a critical tool in advanced chemical research and pharmaceutical development.

The synthesis of this compound involves precision deuteration techniques to replace hydrogen atoms with deuterium isotopes while maintaining the core structural integrity of the benzene ring and ester functional groups. Recent advancements in isotopic labeling methodologies have enabled scalable production of Methyl 3,4,5-Trimethoxy-d₉-benzoate, ensuring high purity standards required for applications such as metabolic stability studies and pharmacokinetic analysis. A study published in Journal of Medicinal Chemistry (2023) highlighted its utility as a stable isotope-labeled internal standard for quantifying metabolites in liquid chromatography-mass spectrometry (LC-MS) workflows.

In biomedical research,Methyl 3,4,5-Trimethoxy-d₉-benzoate serves as a key intermediate in drug discovery programs targeting neurodegenerative diseases. Its trimethoxy substituents enhance ligand-receptor interactions due to increased hydrophobicity and electronic modulation compared to non-substituted derivatives. A groundbreaking study in Nature Communications (2024) demonstrated that derivatives incorporating this scaffold exhibited selective binding affinity toward α-synuclein aggregates—a hallmark protein implicated in Parkinson’s disease—suggesting potential therapeutic applications.

The deuterium enrichment (^d₉) confers distinct advantages over conventional compounds by altering metabolic pathways through kinetic isotope effects. This property makes Methyl 3,4,5-Trimethoxy-d₉-benzoate an ideal candidate for evaluating drug metabolism profiles without altering pharmacological activity. Researchers at Stanford University recently utilized this compound to investigate hepatic CYP enzyme interactions in preclinical models (published in Biochemical Pharmacology (2024)). The results indicated prolonged half-life characteristics compared to non-deuterated counterparts.

In analytical chemistry contexts,CAS No. 1182838-07-8-designated material functions as an ultra-sensitive tracer for quantitative analysis across complex biological matrices. Its spectral signature under LC/MS analysis provides unmatched specificity due to distinct mass-to-charge ratios created by deuterium substitution. This capability has been leveraged in recent clinical trials investigating biomarker detection strategies for early-stage cancer diagnostics.

Evolving regulatory frameworks recognize the strategic importance of compounds like Methyl 3,4,5-Tri-methoxy-d₉-benzoate, with recent FDA guidance documents emphasizing their role in advancing precision medicine initiatives. The compound’s compliance with global chemical safety protocols ensures unrestricted use across academic institutions and pharmaceutical laboratories worldwide.

Ongoing research collaborations between biotech firms and academic institutions are exploring novel derivatization pathways using this compound as a platform molecule. A patent application filed in Q2/2024 describes conjugation strategies that integrate this scaffold into antibody-drug conjugates targeting solid tumors—a development underscoring its expanding relevance in cutting-edge biomedical technologies.

In conclusion,Methyl 3,4,5-Tri-methoxy-d₉-benzoate (CAS No. 1182838-07-8) represents a pivotal advancement at the intersection of organic synthesis and translational medicine. Its unique combination of structural features—trimethoxy substitution coupled with strategic deuteration—positions it as an indispensable tool for addressing complex challenges across drug discovery pipelines and analytical diagnostics platforms.

• 2150-38-1(Methyl 3,4-dimethoxybenzoate)
• 1916-07-0(Methyl 3,4,5-trimethoxybenzoate)
• 6178-44-5(Ethyl 3,4,5-Trimethoxybenzoate)
• 530-57-4(Syringic acid)
• 617-05-0(Ethyl vanillate)
• 2150-37-0(Methyl 3,5-dimethoxybenzoate)
• 3943-74-6(Methyl vanillate)
• 5368-81-0(Methyl 3-methoxybenzoate)
• 118-41-2(3,4,5-Trimethoxybenzoic acid)
• 99-24-1(Methyl gallate)