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Name
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2-bromo-N-(4,5-dimethylisoxazol-3-yl)-N-(methoxymethyl) benzenesulfonamide
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Synonyms
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2-bromo-N-(4,5-dimethylisoxazol-3-yl)-N-(methoxymethyl) benzenesulfonamide(WX04589);
Benzenesulfonamide, 2-bromo-N-(4,5-dimethyl-3-isoxazolyl)-N-(methoxymethyl)-;
2-Bromo-N-(4,5-dimethyl-3-isoxazolyl)-N-(methoxymethyl) benzenesulfonamide; Sparsentan Impurity
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CAS
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415697-57-3
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MF
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C13H15BrN2O4S
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MW
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375.24
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Boiling Point
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506.4±60.0 °C(Predicted)
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Density
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1.533±0.06 g/cm³(Predicted)
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Acidity Coefficient (pKa)
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-5.66±0.50(Predicted)
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Usage
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Intermediate for targeted anticancer drug synthesis: The bromine atom in the structure serves as a highly reactive site, enabling the introduction of functional groups through cross-coupling reactions such as Suzuki and Heck reactions. Meanwhile, the methoxymethyl group (-CH₂OCH₃) can regulate the molecular lipophilicity and metabolic stability. It is widely used in the synthesis of mutant kinase inhibitors (e.g., EGFR, ALK inhibitors), providing key structural units for the development of targeted therapeutic drugs for malignant tumors such as non-small cell lung cancer and breast cancer.
Scaffold for anti-inflammatory and immunomodulatory drug research: The molecule contains both an isoxazole ring (anti-inflammatory pharmacophore) and a benzenesulfonamide structure (immunomodulatory active unit). Structural modification can optimize the regulatory effect on inflammatory pathways such as cyclooxygenase (COX) and tumor necrosis factor (TNF), making it suitable for the design and synthesis of novel drug molecules for autoimmune diseases like rheumatoid arthritis and psoriasis.
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