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Comprehensive Overview of (2-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)dimethylamine (CAS No. 1638768-00-9)

(2-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)dimethylamine, identified by its CAS No. 1638768-00-9, is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound belongs to the class of heterocyclic amines, featuring a unique pyrrolo[2,3-b]pyridine core structure. Its molecular framework, combined with the 5-bromo substitution and dimethylamine side chain, makes it a valuable intermediate in drug discovery and development. Researchers are particularly interested in its potential applications in kinase inhibition and central nervous system (CNS) targeting, aligning with current trends in precision medicine.

The compound's pyrrolopyridine scaffold is a key motif in many bioactive molecules, often associated with high binding affinity and selectivity toward biological targets. With the growing demand for small-molecule therapeutics, 1638768-00-9 has emerged as a candidate for modulating protein-protein interactions. Recent studies highlight its relevance in cancer research, where kinase inhibitors are a major focus. The 5-bromo substituent enhances its reactivity, enabling further derivatization for structure-activity relationship (SAR) studies. This adaptability positions it as a versatile building block in medicinal chemistry.

In the context of AI-driven drug discovery, (2-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)dimethylamine exemplifies how computational tools can predict molecular properties and optimize synthesis pathways. Searches for "pyrrolopyridine derivatives in drug design" or "CAS 1638768-00-9 applications" reflect its prominence in academic and industrial queries. The compound's lipophilicity and hydrogen-bonding capacity are frequently analyzed to assess its blood-brain barrier (BBB) permeability, a critical factor for CNS drug development.

From a synthetic perspective, the compound's dimethylamine moiety offers opportunities for N-alkylation and quaternization, expanding its utility in creating cationic ligands. Its brominated aromatic ring also facilitates cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are pivotal in modern organometallic chemistry. These features align with the rising interest in green chemistry and atom-efficient synthesis, as researchers seek sustainable methods to produce complex molecules.

Beyond pharmaceuticals, 1638768-00-9 has potential applications in material science, particularly in designing organic semiconductors or fluorescent probes. Its electron-rich structure and planar geometry make it suitable for π-conjugated systems, a hot topic in optoelectronic device research. Queries like "pyrrolopyridine-based materials" or "brominated heterocycles in electronics" underscore its interdisciplinary relevance.

Quality control and analytical characterization of (2-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)dimethylamine rely on advanced techniques such as HPLC, LC-MS, and NMR spectroscopy. These methods ensure purity and batch consistency, addressing the stringent requirements of Good Manufacturing Practice (GMP). The compound's stability under various conditions is another area of investigation, especially for long-term storage and formulation.

In summary, CAS No. 1638768-00-9 represents a multifaceted compound with broad implications in drug discovery, materials engineering, and catalysis. Its structural uniqueness and functional versatility continue to inspire innovation across scientific disciplines, making it a subject of enduring interest in both academic and industrial settings.

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