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Desmethyl Celecoxib (CAS No. 170569-87-6): A Comprehensive Overview in Modern Pharmaceutical Research

Desmethyl Celecoxib, chemically designated as (S)-4-(6-methyl-4-hydroxy-2-naphthyl)benzoic acid, is a significant metabolite and intermediate in the pharmacokinetic profile of Celecoxib, a well-known nonsteroidal anti-inflammatory drug (NSAID). With the CAS number 170569-87-6, this compound has garnered attention in the pharmaceutical industry due to its pharmacological properties and potential therapeutic applications. This article delves into the chemical structure, pharmacological significance, and recent research advancements involving Desmethyl Celecoxib.

The molecular formula of Desmethyl Celecoxib is C??H??NO?, reflecting its structural similarity to Celecoxib but with a demethylated side chain. This modification imparts distinct metabolic and pharmacological characteristics, making it a subject of interest in drug metabolism studies. The (S)-configuration of Desmethyl Celecoxib is particularly noteworthy, as it influences its binding affinity to biological targets and overall efficacy.

In the realm of pharmacology, Desmethyl Celecoxib has been extensively studied for its potential role in modulating inflammatory pathways. Celecoxib, a selective COX-2 inhibitor, is primarily used for its anti-inflammatory and analgesic effects. The metabolism of Celecoxib to Desmethyl Celecoxib involves cytochrome P450 enzymes, particularly CYP2C9 and CYP3A4, which play crucial roles in drug biotransformation. Understanding these metabolic pathways is essential for optimizing drug dosages and predicting individual responses to therapy.

Recent studies have highlighted the pharmacological significance of Desmethyl Celecoxib in managing chronic inflammatory conditions. Unlike its parent compound, Desmethyl Celecoxib exhibits a reduced binding affinity to COX-2 but retains some anti-inflammatory properties. This observation has prompted researchers to explore its potential as a lead compound for developing novel therapeutic agents with improved safety profiles. The demethylation process also influences the compound's pharmacokinetic behavior, including its half-life and distribution within the body.

The structural features of Desmethyl Celecoxib make it an attractive candidate for further chemical modifications aimed at enhancing its therapeutic efficacy. Researchers have been experimenting with various functional groups and scaffolds to develop derivatives that exhibit superior anti-inflammatory activity while minimizing side effects. These efforts align with the broader goal of developing next-generation NSAIDs that target specific inflammatory pathways without compromising patient safety.

Advances in computational chemistry and molecular modeling have significantly accelerated the discovery process for novel compounds like Desmethyl Celecoxib. These technologies allow researchers to predict the binding interactions between Desmethyl Celecoxib and biological targets with high precision. Such insights are invaluable for designing drugs that can interact more effectively with their intended receptors, thereby improving treatment outcomes.

In clinical settings, the presence of Desmethyl Celecoxib in patient samples is often monitored to assess drug compliance and metabolic health. Bioanalytical techniques such as liquid chromatography-tandem mass spectrometry (LC-MS/MS) have enabled accurate quantification of this metabolite in biological fluids. These methods are critical for understanding how individual genetic variations influence drug metabolism and response to therapy.

The role of Desmethyl Celecoxib in drug-drug interactions has also been a focus of recent research. Since it is derived fromCelecoxib, which is widely prescribed, understanding how it interacts with other medications is essential for avoiding potential adverse effects. Studies suggest that Desmethyl Celecoxib may affect the metabolism of other drugs metabolized by CYP2C9 and CYP3A4, necessitating careful consideration when co-administering multiple medications.

Emerging evidence indicates that Desmethyl Celecoxib may possess additional therapeutic benefits beyond its anti-inflammatory properties. Preliminary studies have explored its potential role in pain management and neuroprotection, suggesting that it could be repurposed for treating conditions such as neuropathic pain or neurodegenerative disorders. These findings underscore the importance of comprehensive drug repositioning strategies in modern pharmaceutical research.

The development of novel delivery systems for Desmethyl Celecoxib has also gained traction in recent years. Advanced formulations such as nanoparticles and liposomes offer improved bioavailability and targeted delivery, enhancing therapeutic efficacy while reducing systemic side effects. Such innovations are particularly relevant for chronic disease management where long-term treatment adherence is crucial.

Environmental considerations have also influenced the research landscape surrounding Desmethyl Celecoxib. Efforts are underway to develop environmentally sustainable synthetic routes that minimize waste generation and energy consumption. Green chemistry principles are being applied to optimize production processes, ensuring that pharmaceutical manufacturing aligns with global sustainability goals.

Collaborative research initiatives between academia and industry have been instrumental in advancing our understanding of Desmethyl Celecoxib. These partnerships facilitate the rapid translation of laboratory findings into clinical applications, accelerating the development of new therapies for patients worldwide. Such collaborations are essential for addressing unmet medical needs in an efficient manner.

The future directions for research on Desmethyl Celecoxib are multifaceted and promising. Continued investigation into its mechanism of action, metabolic pathways, and clinical applications will further solidify its role as a key player in modern medicine. As our knowledge base expands, so too will the therapeutic possibilities offered by this remarkable compound.

• 331943-04-5(N-De(4-sulfonamidophenyl)-N’-(4-sulfonamidophenyl) Celecoxib)
• 184007-95-2(CELECOXIB)
• 457639-26-8(2,5-Dimethyl Celecoxib)
• 169590-42-5(Celecoxib)
• 170570-01-1(4-Desmethyl-3-methyl Celecoxib)
• 170569-88-7(Mavacoxib)
• 921617-77-8(Benzenesulfonamide, N-hydroxy-4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-)
• 618068-98-7(Benzenesulfonamide, 4-(5-(2-phenanthrenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-)
• 639010-40-5(Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-, sodium salt, compd. with 1,2-propanediol, hydrate (1:1:1:3))
• 194044-54-7(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonami de)