2-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)ethyl)isoindoline-1,3-dione | 1025765-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)ethyl)isoindoline-1,3-dione
• CAS: 1025765-03-0
• 化学式: C₂₄H₁₆BrFN₂O₂
• 分子量: 463.306
• InChiKey: HOGCMPLEWJJOAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.58
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  53.17
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)ethyl)isoindoline-1,3-dione 在 肼 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Carboxylic acid bioisosteres acylsulfonamides, acylsulfamides, and sulfonylureas as novel antagonists of the CXCR2 receptor

  摘要：

  A series of novel acylsulfonamide, acylsulfamide, and sulfonylurea bioisosteres of carboxylic acids were prepared as CXCR2 antagonists. Structure-activity relationships are reported for these series. One potent orally bioavailable inhibitor had excellent PK properties and was active in a lung injury model in hyperoxia-exposed newborn rats. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.127
• 作为产物：
  描述：

  N-[4-(4-fluoro-phenyl)-4-oxo-butyl]-phthalimide 、 4-溴苯肼盐酸盐 在 溶剂黄146 、 zinc(II) chloride 作用下， 生成 2-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)ethyl)isoindoline-1,3-dione
  参考文献：
  名称：

  Carboxylic acid bioisosteres acylsulfonamides, acylsulfamides, and sulfonylureas as novel antagonists of the CXCR2 receptor

  摘要：

  A series of novel acylsulfonamide, acylsulfamide, and sulfonylurea bioisosteres of carboxylic acids were prepared as CXCR2 antagonists. Structure-activity relationships are reported for these series. One potent orally bioavailable inhibitor had excellent PK properties and was active in a lung injury model in hyperoxia-exposed newborn rats. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.127