5-bromo-2-methoxy-N-methylpyridine-3-sulfonamide | 1383994-55-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-bromo-2-methoxy-N-methylpyridine-3-sulfonamide
• CAS: 1383994-55-5
• 化学式: C₇H₉BrN₂O₃S
• 分子量: 281.13
• InChiKey: WYOBQROXLLIUEV-UHFFFAOYSA-N

物化性质

• 沸点：
  380.5±52.0 °C(Predicted)
• 密度：
  1.620±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  76.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-bromo-2-methoxy-N-methylpyridine-3-sulfonamide 在 ammonium hydroxide 、 碘化钠 作用下， 生成 N-methyl-2-oxo-5-(piperidin-3-yl)-1,2-dihydropyridine-3-sulfonamide
  参考文献：
  名称：

  MRGX2 ANTAGONISTS

  摘要：

  本发明涉及按照式（I）的新化合物，这些化合物是MrgX2的拮抗剂，包含它们的药物组合物，以及它们在治疗MrgX2介导的疾病和疾病中的应用。

  公开号：

  US20220112174A1
• 作为产物：
  描述：

  3-(benzylthio)-5-bromo-2-methoxypyridine 在 N-氯代丁二酰亚胺 、 水 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 19.0h， 生成 5-bromo-2-methoxy-N-methylpyridine-3-sulfonamide
  参考文献：
  名称：

  Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase δ

  摘要：

  A macrocyclization approach has been explored on a series of benzoxazine phosphoinositide 3-kinase delta inhibitors, resulting in compounds with improved potency, permeability, and in vivo clearance while maintaining good solubility. The thermodynamics of binding was explored via surface plasmon resonance, and the binding of lead macrocycle 19 was found to be almost exclusively entropically driven compared with progenitor 18, which demonstrated both enthalpic and entropic contributions. The pharmacokinetics of macrocycle 19 was also explored in vivo, where it showed reduced clearance when compared with the progenitor 18. This work adds to the growing body of evidence that macrocyclization could provide an alternative and complementary approach to the design of small-molecule inhibitors, with the potential to deliver differentiated properties.

  DOI：

  10.1021/acsmedchemlett.0c00061

文献信息

• [EN] QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS<br/>[FR] DÉRIVÉS DE QUINAZOLINONE EN TANT QU'AGENTS ANTIVIRAUX
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2012087938A1

  公开（公告）日：2012-06-28

  Provided are compounds and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the Flaviviridae family of viruses such as hepatitis C virus (HCV).

  提供了化合物及其药用盐，它们的药物组合物，它们的制备方法，以及它们用于治疗由黄病毒科（Flaviviridae）家族成员介导的病毒感染，如丙型肝炎病毒（HCV）的用途。
• [EN] BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE EN TANT QU'AGENTS ANTIVIRAUX
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2012174312A2

  公开（公告）日：2012-12-20

  Provided are compounds of Formulas I, II, III, IV, V, and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the Flaviviridae family of viruses such as hepatitis C virus (HCV).