2-[2-(3,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-1-yl]ethanone | 1374416-62-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-[2-(3,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-1-yl]ethanone
• CAS: 1374416-62-2
• 化学式: C₃₂H₃₄Cl₂N₄O₃S
• 分子量: 625.619
• InChiKey: LJVFUNKIIQVDNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  90.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-[4-(4,5-dihydro-1H-imidazol-2-yl)benzyl]-piperidine 、 2-(2-(3,4-dichlorophenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)-acetic acid 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 2-[2-(3,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-1-yl]ethanone
  参考文献：
  名称：

  Quinolinyl- and phenantridinyl-acetamides as bradykinin B1 receptor antagonists

  摘要：

  A new series of quinolinyl- and phenantridinyl-acetamides were synthesizer and evaluated against bradykinin B1 receptor. In vitro metabolic stability data were reported for the key compounds. The analgesic effect of compound 20 from the phenantridine series was proved in-vivo. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.065

文献信息

• Quinolinyl- and phenantridinyl-acetamides as bradykinin B1 receptor antagonists
  作者：János Éles、Gyula Beke、István Vágó、Éva Bozó、József Huszár、Ákos Tarcsay、Sándor Kolok、Éva Schmidt、Mónika Vastag、Katalin Hornok、Sándor Farkas、György Domány、György M. Keserű

  DOI：10.1016/j.bmcl.2012.03.065

  日期：2012.5

  A new series of quinolinyl- and phenantridinyl-acetamides were synthesizer and evaluated against bradykinin B1 receptor. In vitro metabolic stability data were reported for the key compounds. The analgesic effect of compound 20 from the phenantridine series was proved in-vivo. (C) 2012 Elsevier Ltd. All rights reserved.