2-[(1S,4S,10R,13S,16R,19S,25S)-10-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-4-[4-[[2-[2-[2-[2-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]butyl]-25-(3-aminopropyl)-13-benzyl-3,6,12,15,18,21,24,27-octaoxo-8,28,29-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.3]triacontan-19-yl]acetic acid

• 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: 2-[(1S,4S,10R,13S,16R,19S,25S)-10-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-4-[4-[[2-[2-[2-[2-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]butyl]-25-(3-aminopropyl)-13-benzyl-3,6,12,15,18,21,24,27-octaoxo-8,28,29-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.3]triacontan-19-yl]acetic acid
• 化学式: C₆₆H₁₀₈N₁₆O₂₇S₃
• 分子量: 1653.9
• InChiKey: VDHWBINVRMSHHH-ZIAKQUQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.5
• 重原子数：
  112
• 可旋转键数：
  53
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  688
• 氢给体数：
  17
• 氢受体数：
  32

文献信息

• [EN] 18F-LABELLED ALDEHYDE COMPOSITIONS FOR RADIOFLUORINATION<br/>[FR] COMPOSITIONS D'ALDÉHYDE MARQUÉ PAR 18F POUR LA RADIOFLUORATION
  申请人：GE HEALTHCARE LTD

  公开号：WO2014082958A1

  公开（公告）日：2014-06-05

  The present invention relates to improved 18F-labelled aldehyde compositions, wherein impurities which affect imaging in vivo are identified and suppressed. Also provided are methods of preparation of radiofluorinated biological targeting molecules using said improved compositions, together with radiopharmaceutical compositions. The invention also includes methods of imaging and/or diagnosis using the radiopharmaceutical compositions described.

  本发明涉及改进的18F标记的醛类组合物，其中影响体内成像的杂质被识别并抑制。还提供了使用这些改进组合物制备放射性氟化生物靶向分子的方法，以及放射性药物组合物。该发明还包括使用所述放射性药物组合物进行成像和/或诊断的方法。
• [EN] PURIFICATION OF [18F] - FLUCICLATIDE<br/>[FR] PURIFICATION DE [18F]-FLUCICLATIDE
  申请人：GE HEALTHCARE LTD

  公开号：WO2013174909A1

  公开（公告）日：2013-11-28

  The present invention relates to a method of purification of [18F]-fluciclatide via solid phase extraction (SPE). The method is amenable to automation, and is suitable for use in conjunction with automated synthesizer apparatus –especially cassette-based synthesizers. Also provided are cassettes for carrying out the purification method.