[Gd(1,4,7,10-tetraazacyclododecane-1,4,7-triacetate)] | 112188-16-6

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 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: [Gd(1,4,7,10-tetraazacyclododecane-1,4,7-triacetate)]
• 英文别名: [Gd(DO3A)]；2-[4,7-Bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
• CAS: 112188-16-6
• 化学式: C₁₄H₂₃GdN₄O₆
• 分子量: 500.61
• InChiKey: SGPXHPCSEYUXPA-UHFFFAOYSA-K

物化性质

• 熔点：
  >300°C
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -6.25
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  142
• 氢给体数：
  1
• 氢受体数：
  10

安全信息

• WGK Germany：
  3

反应信息

• 作为产物：
  描述：

  氯化钆 、 1,4,7,10-四氮杂环十二烷-1,4,7-三乙酸 以 水 为溶剂， 生成 [Gd(1,4,7,10-tetraazacyclododecane-1,4,7-triacetate)]
  参考文献：
  名称：

  Terreno, Enzo; Botta, Mauro; Fedeli, Franco, Inorganic Chemistry, 2003, vol. 42, # 16, p. 4891 - 4897

  摘要：

  DOI：
• 作为试剂：
  描述：

  乙酸酐 、 苯酚 在 [Gd(1,4,7,10-tetraazacyclododecane-1,4,7-triacetate)] 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.02h， 以98%的产率得到乙酸苯酯
  参考文献：
  名称：

  Microwave-Assisted Catalytic Acetylation of Alcohols by Gold-Nanoparticle–Supported Gadolinium Complex

  摘要：

  A gold nanoparticle (AuNP)-supported gadolinium complex (RS-Au-L-Gd) catalyst was prepared through simple chelation of GdCl3 to the surface-bound spacer, 1,4,7-tris(carboxymethyl)-10-(11-mercaptoundecyl)-1,4,7,10-tetraazacyclododecane (HSDO3A). This AuNP-supported Gd complex was found to be a highly effective catalyst for the acetylation of various alcohols and phenol in the presence of acetic anhydride. With a loading of 0.4 mol% of RS-Au-L-Gd, the almost complete transformation can be achieved in 60 s under microwave irradiation conditions. This hybrid catalyst was air stable, water soluble, dissolvable in many organic media, and precipitable. It can be readily recycled more than eight times without any significant loss of its catalytic activity.

  DOI：

  10.1080/00397911.2014.977399

文献信息

• Targeting multimeric imaging agents through multilocus binding
  申请人：Epix Medical, Inc., a Delaware corporation

  公开号：US20040005274A1

  公开（公告）日：2004-01-08

  The present invention relates to contrast agents for diagnostic imaging. In particular, this invention relates to novel multimeric compounds which exhibit improved relaxivity properties upon binding to endogenous proteins or other physiologically relevant sites. The compounds consist of: a) two or more Image Enhancing Moieties (IEMs) (or signal-generating moiety) comprising multiple subunits; b) two or more Target Binding Moieties (TBMs), providing for in vivo localization and multimer rigidification; and c) a scaffold framework for attachment of the above moieties. d) optional linkers for attachment of the IEMs to scaffold. This invention also relates to pharmaceutical compositions comprising these compounds and to methods of using the compounds and compositions for contrast enhancement of diagnostic imaging.

  本发明涉及用于诊断成像的对比剂。具体而言，本发明涉及新型多聚合物化合物，当与内源蛋白质或其他生理相关部位结合时，表现出改进的弛豫性能。该化合物包括：a) 两个或更多图像增强基团（IEMs）（或信号产生基团），包括多个亚基；b) 两个或更多靶向结合基团（TBMs），提供体内定位和多聚刚化；和c) 用于连接上述基团的支架框架。d) 可选的连接剂，用于将IEMs连接到支架。本发明还涉及包含这些化合物的药物组合物，以及使用这些化合物和组合物增强诊断成像对比度的方法。
• COLLAGEN BINDING PEPTIDES
  申请人：Caravan D. Peter

  公开号：US20070293656A1

  公开（公告）日：2007-12-20

  Peptides capable of binding to extracellular matrix proteins, such as collagen, are described, including their use in diagnostic and therapeutic applications.

  描述了能够结合到细胞外基质蛋白（如胶原蛋白）的肽段，包括它们在诊断和治疗应用中的用途。
• Peptide-based multimeric targeted contrast agents
  申请人：——

  公开号：US20030180222A1

  公开（公告）日：2003-09-25

  Peptides and peptide-targeted multimeric contrast agents are described, as well as methods of making and using the contrast agents.

  描述了肽和靶向肽多聚对比剂，以及制备和使用对比剂的方法。
• METHODS OF COLLAGEN IMAGING
  申请人：Caravan D. Peter

  公开号：US20080044360A1

  公开（公告）日：2008-02-21

  Diagnostic compositions and methods for imaging and/or assessing collagen are described. The diagnostic compositions can include collagen binding peptides.

  描述了用于成像和/或评估胶原蛋白的诊断组合物和方法。诊断组合物可以包括胶原结合肽。
• METHODS OF MYOCARDIAL IMAGING
  申请人：Caravan D. Peter

  公开号：US20080058636A1

  公开（公告）日：2008-03-06

  Diagnostic compositions and methods for imaging collagen and/or assessing myocardial perfusion are described. The diagnostic compositions can include collagen binding peptides.

  本文描述了用于成像胶原蛋白和/或评估心肌灌注的诊断组合物和方法。诊断组合物可以包括胶原蛋白结合肽。