3-(1-((4-chlorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile | 1219981-66-4

• 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: 3-(1-((4-chlorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile
• CAS: 1219981-66-4
• 化学式: C₁₈H₁₇ClN₂O₂S
• 分子量: 360.864
• InChiKey: UTQHMNPAAAXFAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.15
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  61.17
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-(1-((4-chlorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile 在 水 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 以85%的产率得到
  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：

  2-(1-((4-chlorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethan-1-ol 、 丙酮氰醇 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以93%的产率得到3-(1-((4-chlorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile
  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