dimethyl rac-2-[(dimethoxyphosphoryl)methyl]-4-fluoropentanedioate | 1312438-55-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: dimethyl rac-2-[(dimethoxyphosphoryl)methyl]-4-fluoropentanedioate
• 英文别名: Dimethyl 2-(dimethoxyphosphorylmethyl)-4-fluoropentanedioate；dimethyl 2-(dimethoxyphosphorylmethyl)-4-fluoropentanedioate
• CAS: 1312438-55-3
• 化学式: C₁₀H₁₈FO₇P
• 分子量: 300.221
• InChiKey: HNKHJTJBZSZLOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(溴甲基)丙烯酸甲酯 在 盐酸 、 indium 、 全氟丁基磺酰氟 、 potassium carbonate 、 triethylamine tris(hydrogen fluoride) 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 dimethyl rac-2-[(dimethoxyphosphoryl)methyl]-4-fluoropentanedioate
  参考文献：
  名称：

  [EN] PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS
  [FR] INHIBITEURS D'ANTIGÈNES MEMBRANAIRES SPÉCIFIQUES DE LA PROSTATE

  摘要：

  这项发明涉及适合用18F标记的新化合物，以及相应的18F标记化合物本身，其19F-氟化类似物及其作为参考标准的用途，制备这种化合物的方法，包含这种化合物的组合物，包含这种化合物或组合物的试剂盒以及用于正电子发射断层扫描（PET）的这种化合物、组合物或试剂盒的用途。

  公开号：

  WO2011073286A1

文献信息

• [EN] DERIVATIZATION OF RADIOPHARMACEUTICALS<br/>[FR] DÉRIVATION D'AGENTS RADIOPHARMACEUTIQUES
  申请人：BAYER PHARMA AG

  公开号：WO2012104225A1

  公开（公告）日：2012-08-09

  This invention relates to methods for analyzing radiopharmaceuticals wherein the radiopharmaceutical is derivatized beforehand. This method is suitable for compounds labeled with radioisotope or with cold counterpart e.g. 18F or 19F, compositions comprising such compounds, kits comprising such compounds or compositions and uses of such compounds, compositions or kits for analyzing radiopharmaceuticals. wherein R1 is C(=0)OR6; R2 is C(=0)OR7; R3 is,19F or 18F R4 is hydrogen, Methyl, Ethyl, Propyl. Butyl, t-Butyl or Benzyl; R5 is hydrogen. Methyl, Ethyl, Propyl. Butyl, t-Butyl or Benzyl; R6 is hydrogen, Methyl, Ethyl, Propyl, Butyl, t-Butyl or Benzyl; R7 is hydrogen, Methyl, Ethyl, Propyl. Butyl, t-Butyl or Benzyl; with the proviso that at least one of R4, R5, R6, and R7 is hydrogen

  本发明涉及分析放射性药物的方法，其中预先对放射性药物进行衍生化。该方法适用于标记有放射性同位素或冷对应物的化合物，例如18F或19F，包括此类化合物的组合物、包含此类化合物或组合物的试剂盒以及用于分析放射性药物的此类化合物、组合物或试剂盒的用途。其中R1为C(=0)OR6；R2为C(=0)OR7；R3是19F或18F；R4为氢、甲基、乙基、丙基、丁基、叔丁基或苄基；R5为氢、甲基、乙基、丙基、丁基、叔丁基或苄基；R6为氢、甲基、乙基、丙基、丁基、叔丁基或苄基；R7为氢、甲基、乙基、丙基、丁基、叔丁基或苄基；但至少有一个R4、R5、R6和R7为氢。
• PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS
  申请人：Graham Keith

  公开号：US20120328518A1

  公开（公告）日：2012-12-27

  This invention relates to novel compounds suitable for labelling by 18 F and the corresponding 18 F labelled compounds themselves, 19 F-fluorinated analogues thereof and their use as reference standards, methods of preparing such compounds, compositions comprising such compounds, kits comprising such compounds or compositions and uses of such compounds, compositions or kits for diagnostic imaging by positron emission tomography (PET).

  本发明涉及适用于18F标记的新化合物以及相应的18F标记化合物、19F-氟化类似物及其作为参考标准的用途，制备这些化合物的方法，包含这些化合物的组合物、包含这些化合物或组合物的试剂盒以及利用这些化合物、组合物或试剂盒进行正电子发射断层扫描（PET）诊断成像的用途。
• Development of a fast robust derivatization method of an extremely polar PET radiopharmaceutical: a critical aspect for starting a clinical trial
  作者：Keith Graham、Georg Kettschau、Alexey Gromov、Ludger Dinkelborg

  DOI：10.1016/j.tetlet.2013.02.114

  日期：2013.5

  Fluorine-18 labeled (2S,4S)-2-[F-18]fluoro-4-(phosphonomethyl)pentanedioic acid (BAY 1075553) has been identified as a prostate specific membrane antigen inhibitor ligand and is being investigated in clinical PET studies for its application in the diagnosis and staging of prostate cancer. To facilitate its transfer to the clinics, it was imperative to develop sensitive analytical methods to characterize the final product with regard to chemical identity, specific activity, and ratio of stereoisomers. This Letter reports on a new rapid quantitative derivatization method for converting an aliquot of the final aqueous formulated product (concentration <10(-6) M) into a compound suitable for chiral HPLC analysis to determine the ratio of stereoisomers. This novel analytical method was critical for allowing BAY 1075553 to enter the clinical setting. (C) 2013 Elsevier Ltd. All rights reserved.
• [EN] PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS<br/>[FR] INHIBITEURS D'ANTIGÈNES MEMBRANAIRES SPÉCIFIQUES DE LA PROSTATE
  申请人：BAYER SCHERING PHARMA AG

  公开号：WO2011073286A1

  公开（公告）日：2011-06-23

  This invention relates to novel compounds suitable for labelling by 18F and the corresponding 18F labelled compounds themselves, 19F-fluorinated analogues thereof and their use as reference standards, methods of preparing such compounds, compositions comprising such compounds, kits comprising such compounds or compositions and uses of such compounds, compositions or kits for diagnostic imaging by positron emission tomography (PET).

  这项发明涉及适合用18F标记的新化合物，以及相应的18F标记化合物本身，其19F-氟化类似物及其作为参考标准的用途，制备这种化合物的方法，包含这种化合物的组合物，包含这种化合物或组合物的试剂盒以及用于正电子发射断层扫描（PET）的这种化合物、组合物或试剂盒的用途。