1-((2-(1-((4-chlorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethyl)sulfonyl)piperidin-4-one | 1220016-09-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-((2-(1-((4-chlorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethyl)sulfonyl)piperidin-4-one
• CAS: 1220016-09-0
• 化学式: C₂₂H₂₅ClN₂O₅S₂
• 分子量: 497.036
• InChiKey: SGOSCQKRKFKHBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.23
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  91.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-噻吩甲胺 、 1-((2-(1-((4-chlorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethyl)sulfonyl)piperidin-4-one 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以63%的产率得到1-(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
  参考文献：
  名称：

  Tetrahydroquinoline sulfonamides as vasopressin 1b receptor anatgonists

  摘要：

  Vasopressin 1b (V1b) antagonists have been postulated as possible treatments for depression and anxiety. A novel series of potent and selective V1b antagonists has been identified starting from an in-house screen hit. The incorporation of a sulfonamide linker between a tetrahydroisoquinoline core and amino piperidine lead to the identification of a V1b antagonist with similar affinity for human and rat receptors. Further optimization of the right hand portion afforded potent V1b antagonists that possessed moderate to high selectivity over other receptors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.050
• 作为产物：
  描述：

  在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 16.0h， 以77%的产率得到1-((2-(1-((4-chlorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethyl)sulfonyl)piperidin-4-one
  参考文献：
  名称：

  Tetrahydroquinoline sulfonamides as vasopressin 1b receptor anatgonists

  摘要：

  Vasopressin 1b (V1b) antagonists have been postulated as possible treatments for depression and anxiety. A novel series of potent and selective V1b antagonists has been identified starting from an in-house screen hit. The incorporation of a sulfonamide linker between a tetrahydroisoquinoline core and amino piperidine lead to the identification of a V1b antagonist with similar affinity for human and rat receptors. Further optimization of the right hand portion afforded potent V1b antagonists that possessed moderate to high selectivity over other receptors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.050