10-(6-amino-hexyl)-1,4,7,10-tetraaza-cyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester | 957829-64-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 10-(6-amino-hexyl)-1,4,7,10-tetraaza-cyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester
• 英文别名: Tritert-butyl 10-(6-aminohexyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
• CAS: 957829-64-0
• 化学式: C₂₉H₅₇N₅O₆
• 分子量: 571.801
• InChiKey: JNVRYCPJXSSHFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  10-(6-amino-hexyl)-1,4,7,10-tetraaza-cyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoic acid [6-(1,4,7,10-tetraazacyclododec-1-yl)hexyl]amide tris(trifluoroacetate)
  参考文献：
  名称：

  Effective Methods for the Biotinylation of Azamacrocycles

  摘要：

  The biotin-(strept)avidin interaction remains a gold standard of model biological recognition events. The biotinylation of azarnacrocycles permits the investigation of signal transduction between this recognition event and the metal center of an azamacrocycle complex, of wide potential interest in biosensing. There are no generally applicable procedures in the literature for such functionalizations. We report here a comprehensive investigation into the attachment of biotin to TACN, cyclen, and cyclam.. Effective methods have been found for each ring. The efficacy of the functionalization is critically dependent on the nature of the azarnacrocycle.

  DOI：

  10.1021/jo071175v
• 作为产物：
  描述：

  轮环藤宁 在 palladium 10% on activated carbon 、 氢气 、 三乙酰氧基硼氢化钠 、 二异丙胺 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 、 1,2-二氯乙烷 为溶剂， 反应 12.33h， 生成 10-(6-amino-hexyl)-1,4,7,10-tetraaza-cyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester
  参考文献：
  名称：

  [EN] UBA5 INHIBITORS
  [FR] INHIBITEURS D'UBA5

  摘要：

  本公开涉及公式(I)的化合物，这些化合物是UBA5抑制剂。

  公开号：

  WO2015179955A1

文献信息

• UBA5 INHIBITORS
  申请人：THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO

  公开号：US20170107247A1

  公开（公告）日：2017-04-20

  The present disclosure relates to compounds of the Formula (I), which are UBA5 inhibitors.
• Effective Methods for the Biotinylation of Azamacrocycles
  作者：Sara J. Krivickas、Emiliano Tamanini、Matthew H. Todd、Michael Watkinson

  DOI：10.1021/jo071175v

  日期：2007.10.1

  The biotin-(strept)avidin interaction remains a gold standard of model biological recognition events. The biotinylation of azarnacrocycles permits the investigation of signal transduction between this recognition event and the metal center of an azamacrocycle complex, of wide potential interest in biosensing. There are no generally applicable procedures in the literature for such functionalizations. We report here a comprehensive investigation into the attachment of biotin to TACN, cyclen, and cyclam.. Effective methods have been found for each ring. The efficacy of the functionalization is critically dependent on the nature of the azarnacrocycle.
• [EN] UBA5 INHIBITORS<br/>[FR] INHIBITEURS D'UBA5
  申请人：UNIV TORONTO

  公开号：WO2015179955A1

  公开（公告）日：2015-12-03

  The present disclosure relates to compounds of the Formula (I), which are UBA5 inhibitors.

  本公开涉及公式(I)的化合物，这些化合物是UBA5抑制剂。