1,4,7-tris-(trifluoroacetyl)-1,4,7,10-tetraazacyclododecane

• 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: 1,4,7-tris-(trifluoroacetyl)-1,4,7,10-tetraazacyclododecane
• 英文别名: 1,4,7-tri(trifluoroacetyl)-1,4,7,10-tetraazacyclododecane；1,4,7-Tris(trifluoroacetyl)-1,4,7,10-tetraazacyclododecane；1-[4,7-bis(2,2,2-trifluoroacetyl)-1,4,7,10-tetrazacyclododec-1-yl]-2,2,2-trifluoroethanone
• 化学式: C₁₄H₁₇F₉N₄O₃
• 分子量: 460.3
• InChiKey: IOXZZNMTQBXRFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  73
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  3,3'-(phenyl)methylenedibenzyl bromide 、 1,4,7-tris-(trifluoroacetyl)-1,4,7,10-tetraazacyclododecane 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以67%的产率得到3,3'-bis{[1,4,7-tri(trifluoroacetyl)-1,4,7,10-tetraazacyclododecan-1-yl]-methyl}-1,1',1''-triphenylmethane
  参考文献：
  名称：

  ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF

  摘要：

  公开号：

  EP2163553B1
• 作为产物：
  描述：

  三氟乙酸乙酯 、 轮环藤宁 在 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 1,4,7-tris-(trifluoroacetyl)-1,4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  Process for preparation of N-1 protected N ring nitrogen containing cyclic polyamines and products thereof

  摘要：

  环上含有N个氮原子的环状多胺以N-1的方式高收率地进行保护，例如，通过使用某些含氟试剂进行保护，除了一个氨基外都进行保护，从而实现易于去保护。优选地，公开了一种制备1,1′-[1,4-苯基双(亚甲基)]-双1,4,8,11-四氮杂环十四烷的新工艺。

  公开号：

  US20020058807A1

文献信息

• Compositions and Methods for Cellular Imaging and Therapy
  申请人：Yang J. David

  公开号：US20070248537A1

  公开（公告）日：2007-10-25

  The present invention relates generally to the fields of chemistry and radionuclide imaging. More particularly, it concerns compositions, kits and methods for imaging and therapy involving N 4 compounds and derivatives.

  本发明一般涉及化学和放射性核素成像领域。更具体地，涉及涉及N4化合物及其衍生物的成分、试剂盒和成像和治疗方法。
• Method of Preparing or Synthesizing Polyazamacrocycle Derivatives
  申请人：Cihelnik Simon

  公开号：US20080312430A1

  公开（公告）日：2008-12-18

  The present invention relates to novel processes for the synthesis of polyazamacrocycle derivatives. Furthermore, the present invention relates to novel polyazamacrocycle derivatives as well as novel intermediates for the synthesis of said polyazamacrocycle derivatives.

  本发明涉及一种合成聚氮杂大环衍生物的新工艺。此外，本发明还涉及新的聚氮杂大环衍生物以及用于合成该聚氮杂大环衍生物的新中间体。
• Arene Connected Polyamine Macrocyclic Derivatives, Preparation Methods and Pharmaceutical Uses Thereof
  申请人：Li Song

  公开号：US20100179116A1

  公开（公告）日：2010-07-15

  The present invention relates to arene connected polyamine macrocyclic derivatives represented by general formula I, pharmaceutically acceptable salts or hydrates thereof which have anti-HIV activities, in which the definitions of substituents are as defined in the description; to preparation methods of the compounds of formula I; to pharmaceutical compositions containing the compounds of formula I or their pharmaceutically acceptable salts or hydrates; to the use of the compounds of formula I or their pharmaceutically acceptable salts or hydrates for the preparation of a medicament for the treatment and prevention of HIV-associated diseases.

  本发明涉及表示为一般式I的芳香烃连接的多胺大环衍生物、其药学上可接受的盐或水合物，具有抗HIV活性，其中取代基的定义如说明书所定义；本发明还涉及制备式I化合物的方法；含有式I化合物或其药学上可接受的盐或水合物的制药组合物；以及使用式I化合物或其药学上可接受的盐或水合物制备治疗和预防HIV相关疾病的药物。
• Process for the preparation of N-1 protected N ring nitrogen containing cyclic polyamines and products thereof
  申请人：ANORMED INC.

  公开号：EP2022787A1

  公开（公告）日：2009-02-11

  Cyclic polyamines containing N nitrogens on the ring are protected with high yields in a N-1 manner, e.g. all protected but one amino group, by using certain fluoro-containing agents that offer easy deprotection. Preferably, a new process for preparing 1,1'-[1,4-phenylenebis (methylene)] -bis 1,4,8,11 -tetraazacyclotetradecane of formula XII is disclosed.

  环上含有 N 个硝基的环状多胺可通过使用某些易于脱保护的含氟制剂，以 N-1 的方式进行高产率保护，例如除一个氨基外的所有保护。优选地，本发明公开了一种制备式 XII 的 1,1'-[1,4-亚苯基双（亚甲基）]-双 1,4,8,11-四氮杂环十四烷的新工艺。
• Facile N-1 protection of cyclam, cyclen and 1,4,7-triazacyclononane
  作者：Wen Yang、Christen M. Giandomenico、Michael Sartori、Dennis A. Moore

  DOI：10.1016/s0040-4039(03)00338-1

  日期：2003.3

  An exceptionally high yielding method for the tri-protection of cyclam and cyclen using ethyl trifluoroacetate is described. The selective reaction also applies to the di-protection of 1,4,7-triazacyclononane. The application of this method in the synthesis of AMD3100, a clinical candidate for stem cell mobilization is presented. (C) 2003 Elsevier Science Ltd. All rights reserved.