4,4'-pentanediyldioxy-bis-benzylamine | 224054-40-4

• 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: 4,4'-pentanediyldioxy-bis-benzylamine
• 英文别名: 1.5-Bis-(4-aminomethyl-phenoxy)-pentan；4,4'-Pentandiyldioxy-bis-benzylamin；[4-({5-[4-(Aminomethyl)phenoxy]pentyl}oxy)phenyl]methanamine；[4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine
• CAS: 224054-40-4
• 化学式: C₁₉H₂₆N₂O₂
• 分子量: 314.428
• InChiKey: WOAXDZXKNMNEBO-UHFFFAOYSA-N

物化性质

• 熔点：
  74-75 °C
• 沸点：
  501.5±45.0 °C(Predicted)
• 密度：
  1.092±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  70.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-甲酰基苯硼酸 、 4,4'-pentanediyldioxy-bis-benzylamine 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 6.0h， 以62%的产率得到[2-[[[4-[5-[4-[[(2-Boronophenyl)methylamino]methyl]phenoxy]pentoxy]phenyl]methylamino]methyl]phenyl]boronic acid
  参考文献：
  名称：

  Derivatives of pentamidine designed to target the Leishmania lipophosphoglycan

  摘要：

  The Leishmania lipophosphoglycan (LPG) is the most abundant cell surface glycoconjugate of a family of infectious protozoa. Pentamidine, a common drug used in the treatment of Leishmania infections, has been modified with boronic acids so that it might bind more selectively to the phosphodisaccharide repeating unit of the LPG. This could serve to target the drug to the protozoan surface and increase its efficacy in vivo. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.112
• 作为产物：
  描述：

  1,5-二(4-氰基苯氧基)戊烷 在 ammonia methanol 、 镍 作用下， 110.0 ℃ 、8.83 MPa 条件下， 生成 4,4'-pentanediyldioxy-bis-benzylamine
  参考文献：
  名称：

  275.化疗二am的苄胺类似物

  摘要：

  DOI：

  10.1039/jr9470001452

文献信息

• USES OF PENTAMIDINE AND RELATED COMPOUNDS
  申请人：Berglund John Andrew

  公开号：US20100323993A1

  公开（公告）日：2010-12-23

  Methods are provided herein for treatment of myotonic dystrophy and other toxic RNA diseases in a subject. In some examples, the method comprises administration of a compound that binds a nucleotide repeat expansion in a ribonucleic acid molecule, thereby treating the disease. In additional examples, the method comprises administration of a compound that disrupts binding of muscleblind-like proteins to an RNA nucleotide repeat expansion. Compounds for use in the disclosed method include pentamidine or heptamidine or derivatives thereof. Representative compounds are described herein.

  本文提供了一种治疗肌无力萎缩症和其他毒性RNA疾病的方法。在某些例子中，该方法包括给受体注射一种化合物，该化合物能够结合核糖核酸分子中的核苷酸重复扩展，从而治疗该疾病。在其他例子中，该方法包括给受体注射一种化合物，该化合物能够破坏肌肉盲样蛋白与RNA核苷酸重复扩展的结合。用于该方法的化合物包括戊二酸二甲胺或庚二酸二甲胺或其衍生物。本文描述了代表性化合物。
• US8436049B2
  申请人：——

  公开号：US8436049B2

  公开（公告）日：2013-05-07
• 275. Benzylamine analogues of chemotherapeutic diamidines
  作者：Adrien Albert、John A. Mills、Richard Royer

  DOI：10.1039/jr9470001452

  日期：——
• Derivatives of pentamidine designed to target the Leishmania lipophosphoglycan
  作者：Kari L. Kramp、Kristin DeWitt、Jason W. Flora、David C. Muddiman、Kelli M. Slunt、Todd A. Houston

  DOI：10.1016/j.tetlet.2004.11.112

  日期：2005.1

  The Leishmania lipophosphoglycan (LPG) is the most abundant cell surface glycoconjugate of a family of infectious protozoa. Pentamidine, a common drug used in the treatment of Leishmania infections, has been modified with boronic acids so that it might bind more selectively to the phosphodisaccharide repeating unit of the LPG. This could serve to target the drug to the protozoan surface and increase its efficacy in vivo. (C) 2004 Elsevier Ltd. All rights reserved.