(2-Dodecyl-2H-tetrazol-5-yl)-heptyl-amine | 864814-58-4

• 英文名称: (2-Dodecyl-2H-tetrazol-5-yl)-heptyl-amine
• CAS: 864814-58-4
• 化学式: C₂₀H₄₁N₅
• 分子量: 351.579
• InChiKey: VPRRECFIGGIWCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.98
• 重原子数：
  25.0
• 可旋转键数：
  18.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  55.63
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (2-Dodecyl-2H-tetrazol-5-yl)-heptyl-amine 在 trialkylamine 、 sodium hydride 作用下， 以 甲苯 为溶剂， 生成 1-(2-Dodecyl-2H-tetrazol-5-yl)-1-heptyl-3-(2,4,6-trimethoxy-phenyl)-urea
  参考文献：
  名称：

  Tetrazole-substituted ureas as inhibitors of acyl-CoA:cholesterol O-acyltransferase (ACAT). A novel preparation of ureas from weakly nucleophilic amines

  摘要：

  A novel series of tetrazole-substituted ureas 2 were prepared from weakly nucleophilic amines using a new coupling method. The ureas were found to potently inhibit liver ACAT in vitro and lower total serum cholesterol in vivo. A comparison of urea 2b and the anti-atherosclerotic CI-976 in a long-term model of atherosclerosis indicates the importance of inhibiting arterial ACAT for reducing lesion size. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00310-1
• 作为产物：
  描述：

  1-溴代庚烷 、 5-Amino-2-dodecyl-tetrazole 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 (2-Dodecyl-2H-tetrazol-5-yl)-heptyl-amine
  参考文献：
  名称：

  Tetrazole-substituted ureas as inhibitors of acyl-CoA:cholesterol O-acyltransferase (ACAT). A novel preparation of ureas from weakly nucleophilic amines

  摘要：

  A novel series of tetrazole-substituted ureas 2 were prepared from weakly nucleophilic amines using a new coupling method. The ureas were found to potently inhibit liver ACAT in vitro and lower total serum cholesterol in vivo. A comparison of urea 2b and the anti-atherosclerotic CI-976 in a long-term model of atherosclerosis indicates the importance of inhibiting arterial ACAT for reducing lesion size. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00310-1