2-(1-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid | 683220-35-1

• 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: 2-(1-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid
• 英文别名: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-2-yl]acetic acid
• CAS: 683220-35-1
• 化学式: C₁₆H₂₁NO₄
• 分子量: 291.347
• InChiKey: MCCJUNNXZVNMDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  、 2-(1-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 16.0h， 生成
  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 乙醇 、 水 、 lithium hydroxide 作用下， 反应 3.0h， 生成 2-(1-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid
  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