| 898232-88-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 898232-88-7
• 化学式: C₁₇H₁₈N₄
• 分子量: 278.357
• InChiKey: FNFNIUKPCDZBOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  71.7
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 以 氯苯 为溶剂， 生成
  参考文献：
  名称：

  Novel alkylpolyaminoguanidines and alkylpolyaminobiguanides with potent antitrypanosomal activity

  摘要：

  A series of polyaminoguanidines and polyaminobiguan ides were synthesized and evaluated as potential antitrypanosomal agents. These analogues inhibit trypanothione reductase (TR) with IC50 values as low as 0.95 mu M, but do not inhibit the closely related human enzyme glutathione reductase (GR). The most effective analogues, 7a, 7b and 8d, inhibited parasitic growth in vitro with IC50 values of 0.18, 0.09 and 0.18 mu M, respectively. These agents represent a promising new class of potential antitrypanosomal agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.048
• 作为产物：
  描述：

  3,3-二苯基丙胺 、 sodium dicyanamide 在 盐酸 作用下， 以 乙醚 、 乙酸乙酯 、 various solvents 为溶剂， 生成
  参考文献：
  名称：

  Novel alkylpolyaminoguanidines and alkylpolyaminobiguanides with potent antitrypanosomal activity

  摘要：

  A series of polyaminoguanidines and polyaminobiguan ides were synthesized and evaluated as potential antitrypanosomal agents. These analogues inhibit trypanothione reductase (TR) with IC50 values as low as 0.95 mu M, but do not inhibit the closely related human enzyme glutathione reductase (GR). The most effective analogues, 7a, 7b and 8d, inhibited parasitic growth in vitro with IC50 values of 0.18, 0.09 and 0.18 mu M, respectively. These agents represent a promising new class of potential antitrypanosomal agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.048