N,N'-bis-(2-morpholino-ethyl)-adipamide | 548788-23-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N,N'-bis-(2-morpholino-ethyl)-adipamide
• 英文别名: N,N'-Bis-(2-morpholino-aethyl)-adipamid；N,N'-bis(2-morpholin-4-ylethyl)hexanediamide
• CAS: 548788-23-4
• 化学式: C₁₈H₃₄N₄O₄
• 分子量: 370.492
• InChiKey: OFMJJSHHYYKYHD-UHFFFAOYSA-N

物化性质

• 熔点：
  160 °C
• 沸点：
  645.0±55.0 °C(Predicted)
• 密度：
  1.107±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  83.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-bis-(2-morpholino-ethyl)-adipamide 在 diborane(6) 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 生成 3-[[6-[(2-cyanoethyl)-(2-morpholin-4-ylethyl)amino]hexyl]-(2-morpholin-4-ylethyl)amino]propionitrile
  参考文献：
  名称：

  Allosteric Modulators of the Tertiary Alkanebisamino-Type. Variation of the Substitution of the Middle Chain Nitrogens

  摘要：

  Synthesis pathways of high flexibility for variously substituted alkanebisamine-type allosteric modulators of musearinic receptors capable of passing the blood-brain barrier were developed starting either from N,N'-(hexane-1,6-diyl)bistosylamide or adipic acid chloride. Pharmacological evaluation of some representative compounds revealed the allosteric potency to fall in a submicromolar range.

  DOI：

  10.1007/s00706-004-0218-2
• 作为产物：
  描述：

  N-(2-氨基乙基)吗啉 、 己二酰氯 在 吡啶 作用下， 以71%的产率得到N,N'-bis-(2-morpholino-ethyl)-adipamide
  参考文献：
  名称：

  Allosteric Modulators of the Tertiary Alkanebisamino-Type. Variation of the Substitution of the Middle Chain Nitrogens

  摘要：

  Synthesis pathways of high flexibility for variously substituted alkanebisamine-type allosteric modulators of musearinic receptors capable of passing the blood-brain barrier were developed starting either from N,N'-(hexane-1,6-diyl)bistosylamide or adipic acid chloride. Pharmacological evaluation of some representative compounds revealed the allosteric potency to fall in a submicromolar range.

  DOI：

  10.1007/s00706-004-0218-2

文献信息

• Allosteric Modulators of the Tertiary Alkanebisamino-Type. Variation of the Substitution of the Middle Chain Nitrogens
  作者：Rainer Pick、Seraina Duda-Johner、Christian Tr�nkle、Klaus Mohr、Ulrike Holzgrabe

  DOI：10.1007/s00706-004-0218-2

  日期：2004.12

  Synthesis pathways of high flexibility for variously substituted alkanebisamine-type allosteric modulators of musearinic receptors capable of passing the blood-brain barrier were developed starting either from N,N'-(hexane-1,6-diyl)bistosylamide or adipic acid chloride. Pharmacological evaluation of some representative compounds revealed the allosteric potency to fall in a submicromolar range.