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• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Pyrimidinecarboxylic acids and derivatives

Comprehensive Overview of 5-Bromo-2-(methylamino)pyrimidine-4-carboxylic acid (CAS No. 937647-22-8)

5-Bromo-2-(methylamino)pyrimidine-4-carboxylic acid (CAS No. 937647-22-8) is a high-value pyrimidine derivative widely utilized in pharmaceutical research and organic synthesis. This compound features a brominated pyrimidine core, a methylamino substituent, and a carboxylic acid functional group, making it a versatile intermediate for drug discovery. Its molecular structure (C₆H₆BrN₃O₂) has attracted significant attention in the development of kinase inhibitors and antiviral agents, aligning with current trends in precision medicine and targeted therapy.

The growing demand for small-molecule therapeutics has propelled interest in 5-Bromo-2-(methylamino)pyrimidine-4-carboxylic acid, particularly in structure-activity relationship (SAR) studies. Researchers frequently search for "pyrimidine-based drug candidates" or "brominated heterocycles in medicinal chemistry," reflecting its relevance in modern drug design. The compound’s CAS No. 937647-22-8 serves as a critical identifier in patent literature and regulatory documentation, ensuring traceability in GMP-compliant synthesis workflows.

From a synthetic perspective, this compound exemplifies the strategic use of halogenated building blocks in cross-coupling reactions, a hot topic in green chemistry discussions. Its carboxylic acid moiety enables facile derivatization via amidation or esterification, addressing frequent search queries like "functional group interconversion in pyrimidines." Analytical data (e.g., ¹H NMR, HPLC purity) are often requested by users evaluating batch-to-batch consistency, underscoring its role in quality-by-design (QbD) approaches.

In the context of AI-driven drug discovery, 5-Bromo-2-(methylamino)pyrimidine-4-carboxylic acid is increasingly mentioned in datasets for machine learning models predicting molecular properties. This aligns with trending searches such as "computational chemistry for scaffold optimization." The compound’s balanced lipophilicity (LogP) and hydrogen-bonding capacity make it a candidate for fragment-based drug design, a technique gaining traction in high-throughput screening platforms.

Regulatory and safety profiles of CAS No. 937647-22-8 are frequently queried by contract research organizations (CROs). While not classified as hazardous, proper handling under laboratory best practices is emphasized. The compound’s stability data (e.g., thermal degradation thresholds) are critical for users investigating "storage conditions for sensitive intermediates," a common concern in process chemistry forums.

Market analysts note rising procurement of 5-Bromo-2-(methylamino)pyrimidine-4-carboxylic acid by API manufacturers, driven by its utility in next-generation therapeutics. Patent landscapes reveal its incorporation in proteolysis-targeting chimeras (PROTACs), answering niche searches like "pyrimidine linkers in bifunctional molecules." Such applications highlight its intersection with cutting-edge modalities in oncology and immunology.

In summary, 5-Bromo-2-(methylamino)pyrimidine-4-carboxylic acid (CAS No. 937647-22-8) represents a multifunctional scaffold at the nexus of medicinal chemistry and process development. Its adaptability to catalytic transformations and compatibility with bioisostere strategies ensure sustained relevance in both academic and industrial settings, addressing evolving needs in rational drug design.

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