14,14,14-trifluoro-13,13-bis(trifluoromethyl)-3,6,9,12-tetraoxatet-radecan-1-amine | 1227164-40-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 14,14,14-trifluoro-13,13-bis(trifluoromethyl)-3,6,9,12-tetraoxatet-radecan-1-amine
• 英文别名: 2-[2-[2-[2-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanamine
• CAS: 1227164-40-0
• 化学式: C₁₂H₁₈F₉NO₄
• 分子量: 411.265
• InChiKey: VNTIKHGDCUGZOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  62.9
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  14,14,14-trifluoro-13,13-bis(trifluoromethyl)-3,6,9,12-tetraoxatet-radecan-1-amine 在 哌啶 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 6-氯-1-羟基苯并三氮唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-tert-butyl-36-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1,1,1-trifluoro-16,23-dioxo-2,2-bis(trifluoromethyl)-3,6,9,12,25,28,31,34-octaoxa-15,22-diazahexatriacontan-17-ylcarbamate
  参考文献：
  名称：

  Synthesis and characterization of fluorinated conjugates of albumin

  摘要：

  A small fluorocarbon dendron that contains nine chemically identical fluorine atoms was covalently conjugated to albumin via a flexible linker. Two versions were made, which differ by 10% in the linker length. Both versions display split F-19 signal and much shorter F-19 longitudinal relaxation time than their small molecule counterparts. 10% difference in the flexible linker length has negligible impact on the F-19 signal. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2013.01.026
• 作为产物：
  描述：

  11-azide-1-{(methylsulfonyl)oxy}-3,6,9-trioxaundecane 在 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 14,14,14-trifluoro-13,13-bis(trifluoromethyl)-3,6,9,12-tetraoxatet-radecan-1-amine
  参考文献：
  名称：

  氟化顺磁性螯合物作为潜在的多色 19F 示踪剂。

  摘要：

  一类潜在的多色 (19) F 成像示踪剂是通过将金属离子与氟化螯合剂配对制成的。所有氟化金属螯合物都发出单个 (19)F 信号。顺磁性金属离子移动 (19)F 信号频率并使 (19)F 弛豫率对局部化学环境不敏感。

  DOI：

  10.1039/c1cc11150g

文献信息

• Hypoxia-Responsive ¹⁹F MRI Probes with Improved Redox Properties and Biocompatibility
  作者：Da Xie、Seyong Kim、Vikraant Kohli、Arnab Banerjee、Meng Yu、José S. Enriquez、Jeffrey J. Luci、Emily L. Que

  DOI：10.1021/acs.inorgchem.7b00500

  日期：2017.6.5

  F-19 magnetic resonance imaging (MRI), an emerging modality in biomedical imaging, has shown promise for in vitro and in vivo preclinical studies. Here we present a It series of fluorinated Cu(II)ATSM derivatives for potential use as F-19 magnetic resonance agents for sensing cellular hypoxia. The synthesized complexes feature a hypoxia-targeting Cu2+ coordination core, nine equivalent fluorine atoms connected via a variable-length poly(ethylene glycol) linker. Introduction of the fluorine moiety maintains the planar coordination geometry of the,Cu2+ center, while the linker length modulates the Cu2+/+ reduction potential, F-19 NMR relaxation properties, and lipophilicity. In.particular, the F-19 NMI. relaxation properties were quantitatively evaluated by the Solomon-Bloembergen model, revealing a regular pattern of relaxation enhancement tuned by the distance between Cu2+ and F atoms. Finally, the potential utility of these complexes for sensing reductive environments was demonstrated using both F-19 MR phantom imaging and F-19 NMR, including experiments in intact live cells.
• CONJUGATES OF 19F MR IMAGING TRACERS FOR USE IN MULTI-CHROMIC MRI IMAGING
  申请人：Yu Yihua Bruce

  公开号：US20110217241A1

  公开（公告）日：2011-09-08

  Compositions for producing multi-chromic (“color”) magnetic resonance images (MRI). The compositions for use as MRI imaging agents include a magnetic resonance imaging tracer having a signal emitter, such as a 19 F imaging tracer ( 19 FIT), conjugated with a magnetic signal modulator, such as a paramagnetic functional group or a paramagnetic ion. The 19 FIT and the signal modulator (M) are joined covalently by a chelator such as DOTA, forming a nanometer-sized fluorinated paramagnetic complex 19 FIT-DOTA-M. Other signal emitters, such as 31 P imaging tracer ( 31 PIT), can also be modulated using this strategy (i.e., 31 PIT-DOTA-M) to generate multi-chromic 31 P MRI or MRS.