Benzyl-(2-dodecyl-2H-tetrazol-5-yl)-amine | 864814-56-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Benzyl-(2-dodecyl-2H-tetrazol-5-yl)-amine
• CAS: 864814-56-2
• 化学式: C₂₀H₃₃N₅
• 分子量: 343.516
• InChiKey: IGEFSJYYULLSLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.21
• 重原子数：
  25.0
• 可旋转键数：
  14.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 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：

  Benzyl-(2-dodecyl-2H-tetrazol-5-yl)-amine 在 trialkylamine 、 sodium hydride 作用下， 以 甲苯 为溶剂， 生成 1-Benzyl-1-(2-dodecyl-2H-tetrazol-5-yl)-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：

  溴甲苯 、 5-Amino-2-dodecyl-tetrazole 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 Benzyl-(2-dodecyl-2H-tetrazol-5-yl)-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