1-(Dimethylcarbamoyl)-2,3-dihydro-1H-indole-5-sulfonyl chloride | 89732-01-4

• 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: 1-(Dimethylcarbamoyl)-2,3-dihydro-1H-indole-5-sulfonyl chloride
• 英文别名: 1-(dimethylcarbamoyl)-2,3-dihydroindole-5-sulfonyl chloride
• CAS: 89732-01-4
• 化学式: C₁₁H₁₃ClN₂O₃S
• 分子量: 288.755
• InChiKey: UNSXMBZKAZGWRU-UHFFFAOYSA-N

物化性质

• 沸点：
  427.3±45.0 °C(Predicted)
• 密度：
  1.434±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(Dimethylcarbamoyl)-2,3-dihydro-1H-indole-5-sulfonyl chloride 在 吡啶 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 5-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenylsulfamoyl}-2,3-dihydro-indole-1-carboxylic acid dimethylamide
  参考文献：
  名称：

  Potent, selective human β3 adrenergic receptor agonists containing a substituted indoline-5-sulfonamide pharmacophore

  摘要：

  A series of compounds possessing an N-substituted indoline-5-sulfonamide pharmacophore was prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. The SAR of a wide range of urea and heterocyclic substituents is discussed. 4-Octyl thiazole compound 8c was the most potent and selective compound in the series, with 2800-fold selectivity over beta(1) binding and 1400-fold selectivity over beta(2) binding (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00277-2
• 作为产物：
  描述：

  2,3-dihydro-indole-1-carboxylic acid methylamide 在 氯磺酸 、 sodium hydride 作用下， 反应 3.0h， 生成 1-(Dimethylcarbamoyl)-2,3-dihydro-1H-indole-5-sulfonyl chloride
  参考文献：
  名称：

  Potent, selective human β3 adrenergic receptor agonists containing a substituted indoline-5-sulfonamide pharmacophore

  摘要：

  A series of compounds possessing an N-substituted indoline-5-sulfonamide pharmacophore was prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. The SAR of a wide range of urea and heterocyclic substituents is discussed. 4-Octyl thiazole compound 8c was the most potent and selective compound in the series, with 2800-fold selectivity over beta(1) binding and 1400-fold selectivity over beta(2) binding (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00277-2