1,4-bis<<(2-aminoethyl)amino>methyl>benzene | 71277-17-3

• 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: 1,4-bis<<(2-aminoethyl)amino>methyl>benzene
• 英文别名: 1,4-di[bis(2-aminoethyl)amino-methyl]benzene；Benzenedimethanamine-diethylamine；N'-(2-aminoethyl)-N'-[[4-[[bis(2-aminoethyl)amino]methyl]phenyl]methyl]ethane-1,2-diamine
• CAS: 71277-17-3
• 化学式: C₁₆H₃₂N₆
• 分子量: 308.47
• InChiKey: IPRXUMOWYUGCLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  111
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  吡啶-2-甲醛 、 1,4-bis<<(2-aminoethyl)amino>methyl>benzene 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 17.0h， 生成 N-(2-amino-ethyl)-N-{4-[((2-amino-ethyl)-{2-[(pyridin-2-ylmethyl)-amino]-ethyl}-amino)-methyl]-benzyl}-N'-pyridin-2-ylmethyl-ethane-1,2-diamine
  参考文献：
  名称：

  WO2008/21788

  摘要：

  公开号：
• 作为产物：
  描述：

  1,4-二(溴甲基)苯 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 168.0h， 生成 1,4-bis<<(2-aminoethyl)amino>methyl>benzene
  参考文献：
  名称：

  Synthetic Bis-Metal Ion Receptors for Bis-Imidazole "Protein Analogs"

  摘要：

  We are investigating an approach to protein recognition that is based on matching a pattern of metal ions in a synthetic receptor to a complementary pattern of metal-coordinating functional groups (histidine) on a protein's surface. In this model study, target ''protein analogs'' were constructed by linking two imidazoles via organic spacers of varying lengths. By computer modeling the individual targets and receptors, bis-Hg2+ receptors were designed to position two metal ions to match the available nitrogen ligands of their target bis-imidazoles. While H-1 NMR studies in DMSO-d(6) show that the receptors can bind 2 equiv of 1-benzylimidazole (K-1 similar to 10(4) M(-1)), a bis-imidazole is bound in a 1:1 complex with association constants as high as 3 x 10(6) M(-1). Bis-metal ion receptors are indeed selective for their target bis-imidazoles in competitive binding experiments, preferring the target over others that are both longer and shorter by similar to 4 Angstrom (maximum selectivity = 11.5). A maximum selectivity of 140 was observed for the competition between a target bis-imidazole and 1-benzylimidazole. Increasing the available coordination sites on the metal ion significantly reduces selectivity, presumably by allowing the receptor to take on multiple bound conformations. Attempts to improve binding selectivity by restricting the receptors' conformational mobility reduced selectivity, primarily by introducing unanticipated unfavorable interactions with the target bis-imidazoles.

  DOI：

  10.1021/ja00099a007

文献信息

• Polyamine compounds for treating chemokine receptor mediated diseases
  申请人：Shia Kak-Shan

  公开号：US20050043366A1

  公开（公告）日：2005-02-24

  This invention relates to a method for treating inflammatory diseases or immune diseases, developmental or degenerative diseases, or tissue injuries. The method includes administering to a subject in need thereof an effective amount of one or more compounds of the following formula. Each variable in this formula is defined in the specification.

  本发明涉及一种治疗炎症性疾病或免疫性疾病、发育或退行性疾病或组织损伤的方法。该方法包括向需要治疗的受试者施用下列式子中一种或多种化合物的有效量。该式子中的每个变量在说明书中有定义。
• POLYAMINE COMPOUNDS
  申请人：Yen Chi-Feng

  公开号：US20080058382A1

  公开（公告）日：2008-03-06

  This invention relates to methods for treating retinopathy and repairing tissue damage. The methods include administering to a subject in need thereof an effective amount of one or more compounds of the following formula. Each variable in this formula is defined in the specification.

  本发明涉及用于治疗视网膜病变和修复组织损伤的方法。该方法包括向需要的受体中施加以下公式的一个或多个化合物的有效量。该公式中的每个变量在说明书中有定义。
• POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES
  申请人：Taigen Biotechnology

  公开号：EP1608352A1

  公开（公告）日：2005-12-28
• EP1608352A4
  申请人：——

  公开号：EP1608352A4

  公开（公告）日：2007-11-28
• US7399776B2
  申请人：——

  公开号：US7399776B2

  公开（公告）日：2008-07-15