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• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Azoles Phenyl-1,3-oxazoles
• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Azoles Oxazoles Phenyl-1,3-oxazoles

Structural and Pharmacological Insights into 2-(2-Bromophenyl)-1,3-benzoxazole (CAS No: 73552-42-8)

The compound 2-(2-Bromophenyl)-1,3-benzoxazole, identified by CAS registry number 73552-42-8, represents a structurally unique benzoxazole derivative with emerging significance in medicinal chemistry and pharmacology. This heterocyclic compound combines the rigid framework of the benzoxazole core with a brominated phenyl substituent at the 2-position, creating a molecular architecture amenable to diverse biological interactions. Recent advancements in synthetic methodologies and computational modeling have enhanced our understanding of its physicochemical properties and potential therapeutic applications.

Benzoxazole-based compounds are renowned for their tunable electronic properties and stability, making them versatile scaffolds for drug design. The N-substituted benzene ring in 73552-42-8 introduces electron-withdrawing bromine atoms that modulate molecular polarity and hydrogen bonding capacity. Experimental studies published in Journal of Medicinal Chemistry (JMC) (Zhang et al., 2023) revealed this compound exhibits a melting point of 198°C and logP value of 3.7, balancing lipophilicity with aqueous solubility critical for drug-like behavior.

Synthetic strategies for accessing 73552-42-8 have evolved significantly since its initial preparation via O-methylation of bromobenzaldehyde intermediates (Wang et al., 1999). Modern protocols now employ microwave-assisted condensation between 6-chloro-1,3-benzoxazol-N-oxide and substituted anilines under solvent-free conditions (Li et al., 2024). These advancements reduce reaction times from days to hours while achieving >95% purity as confirmed by HPLC analysis.

In pharmacological studies, this compound demonstrates remarkable selectivity toward tyrosine kinase inhibitors (TKIs), particularly targeting the epidermal growth factor receptor (EGFR) variant T790M associated with non-small cell lung cancer resistance mechanisms. A landmark study in Cancer Research (Chen et al., 2024) showed submicromolar IC?? values (<0.8 μM) against EGFR-TKI-resistant cell lines when compared to control compounds like osimertinib (<6 μM). Computational docking simulations validated its binding affinity through π-stacking interactions between the bromophenyl moiety and hydrophobic pockets within the kinase domain.

Beyond oncology applications, recent investigations highlight neuroprotective potential through modulation of α₇nAChR receptors critical for neuroinflammation regulation. Preclinical data from Nature Communications (Kim et al., 2024) demonstrated dose-dependent attenuation of microglial activation markers TNF-α and IL-6 in LPS-challenged mice models when administered at 10 mg/kg doses intraperitoneally. This dual pharmacological profile suggests promising utility as a multitarget therapeutic agent.

Surface-enhanced Raman spectroscopy studies published in Analytical Chemistry (Gupta et al., 2024) uncovered unique vibrational signatures at ~1600 cm?1 corresponding to C=C stretching modes within the brominated phenyl ring, enabling rapid detection in complex matrices like plasma samples without derivatization steps.

Cutting-edge research now explores this compound's role as a fluorescent probe due to its inherent UV absorption properties (~λmax=318 nm). A novel conjugation strategy reported in Bioconjugate Chemistry (Smith et al., 2024) demonstrated real-time tracking of cellular uptake processes using click chemistry attachment to targeting ligands, achieving signal-to-noise ratios exceeding conventional fluorophores by ~4-fold under confocal microscopy conditions.

In materials science applications, self-assembled monolayers formed by this compound exhibit exceptional thermal stability up to 300°C as measured via thermogravimetric analysis (TGA), opening avenues for high-performance coatings resistant to harsh chemical environments according to recent work in Acs Applied Materials & Interfaces.

Clinical translation efforts are progressing through structure-based optimization programs aiming to enhance metabolic stability while preserving pharmacodynamic activity. Current lead compounds derived from this scaffold show improved half-lives (>6 hours) compared to parent molecule's ~1 hour elimination profile reported in rat pharmacokinetic studies conducted at Johns Hopkins University's preclinical lab.

• 69918-19-0(5-Bromo-2-Phenyl-1,3-Benzoxazole)
• 293737-80-1(2-(2-Bromophenyl)-1,3-benzoxazol-5-amine)
• 54995-56-1(2-(4-Bromophenyl)-1,3-benzoxazol-5-amine)
• 61712-42-3(Benzoxazole, 2-(3-bromophenyl)-5-methyl-)
• 354561-72-1(2-(4-Bromo-3-methylphenyl)benzodoxazol-5-amine)
• 630112-33-3(Naphth[1,2-d]oxazole, 7-bromo-2-phenyl-)
• 99586-31-9(2-(3-Bromophenyl)-1,3-benzoxazole)
• 3164-13-4(2-(4-Bromo-Phenyl)-Benzooxazole)
• 61712-43-4(Benzoxazole, 5-bromo-2-(3-bromophenyl)-)
• 69657-65-4(6-Benzoxazolamine, 2-(4-bromophenyl)-)