3-(Diethylamino)propyl 4-(butylamino)benzoate | 244623-81-2

• 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: 3-(Diethylamino)propyl 4-(butylamino)benzoate
• CAS: 244623-81-2
• 化学式: C₁₈H₃₀N₂O₂
• 分子量: 306.448
• InChiKey: VIQCXABXTSNZER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-二乙氨基-1-丙醇 、 4-(丁氨基)苯甲酸 在 sodium hydride 、 N,N'-羰基二咪唑 作用下， 以 乙二醇二甲醚 为溶剂， 生成 3-(Diethylamino)propyl 4-(butylamino)benzoate
  参考文献：
  名称：

  Block of cyclic nucleotide-gated channels by tetracaine derivatives: Role of apolar interactions at two distinct locations

  摘要：

  A series of new tetracaine derivatives was synthesized to explore the effects of hydrophobic character on blockade of cyclic nucleotide-gated (CNG) channels. Increasing the hydrophobicity at either of two positions on the tetracaine scaffold, the tertiary amine or the butyl tail, yields blockers with increased potency. However, shape also plays an important role. While gradual increases in length of the butyl tail lead to increased potency, substitution of the butyl tail with branched alkyl or cyclic groups is deleterious. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.069

文献信息

• Block of cyclic nucleotide-gated channels by tetracaine derivatives: Role of apolar interactions at two distinct locations
  作者：Timothy Strassmaier、Sarah R. Kirk、Tapasree Banerji、Jeffrey W. Karpen

  DOI：10.1016/j.bmcl.2007.11.069

  日期：2008.1

  A series of new tetracaine derivatives was synthesized to explore the effects of hydrophobic character on blockade of cyclic nucleotide-gated (CNG) channels. Increasing the hydrophobicity at either of two positions on the tetracaine scaffold, the tertiary amine or the butyl tail, yields blockers with increased potency. However, shape also plays an important role. While gradual increases in length of the butyl tail lead to increased potency, substitution of the butyl tail with branched alkyl or cyclic groups is deleterious. (c) 2007 Elsevier Ltd. All rights reserved.