[¹⁸F]-CTT1057 | 1628717-59-8

• 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: [¹⁸F]-CTT1057
• 英文别名: Unii-GA4V050P3M；(2S)-2-[[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[6-[(4-(18F)fluoranylbenzoyl)amino]hexanoylamino]butanoyl]amino]butoxy]-hydroxyphosphoryl]amino]pentanedioic acid
• CAS: 1628717-59-8
• 化学式: C₂₈H₄₀FN₄O₁₄P
• 分子量: 705.618
• InChiKey: IZLOSIXADNUSCM-ZWYZQBDTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  48
• 可旋转键数：
  25
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  295
• 氢给体数：
  9
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  ethyl 4-[18F]fluorobenzoate 在 四丙基氢氧化铵 作用下， 以 乙腈 为溶剂， 反应 0.2h， 生成 [¹⁸F]-CTT1057
  参考文献：
  名称：

  [EN] DIAGNOSTIC METHODS OF PROSTATE CANCER
  [FR] PROCÉDÉS DE DIAGNOSTIC DU CANCER DE LA PROSTATE

  摘要：

  The present disclosure relates to the field of diagnostic methods, and more particularly prostate cancer imaging. In particular, the disclosure relates to a radiopharmaceutical PSMA-binding compound for use in determining the presence and/or localization of PSMA-positive tumors in a subject in need thereof, wherein said subject has been diagnosed with biochemical recurrence, particularly after radical prostatectomy or radiotherapy, and wherein said radiopharmaceutical compound is the compound of formula (III).

  公开号：

  WO2022207906A1

文献信息

• Structure–Activity Relationship of ¹⁸F-Labeled Phosphoramidate Peptidomimetic Prostate-Specific Membrane Antigen (PSMA)-Targeted Inhibitor Analogues for PET Imaging of Prostate Cancer
  作者：Shorouk Dannoon、Tanushree Ganguly、Hendry Cahaya、Jonathan J. Geruntho、Matthew S. Galliher、Sophia K. Beyer、Cindy J. Choy、Mark R. Hopkins、Melanie Regan、Joseph E. Blecha、Lubica Skultetyova、Christopher R. Drake、Salma Jivan、Cyril Barinka、Ella F. Jones、Clifford E. Berkman、Henry F. VanBrocklin

  DOI：10.1021/acs.jmedchem.5b01850

  日期：2016.6.23

  A series of phosphoramidate-based prostate specific membrane antigen (PSMA) inhibitors of increasing lipophilicity were synthesized (4, 5, and 6), and their fluorine-18 analogs were evaluated for use as positron emission tomography (PET) imaging agents for prostate cancer. To gain insight into their modes of binding, they were also cocrystallized with the extracellular domain of PSMA. All analogs exhibited

  一系列基于磷酸酯前列腺特异性膜抗原的（PSMA）增加亲脂性的抑制剂，合成（4，5，和6），以及它们的氟-18类似物进行了评价，用作正电子发射断层扫描（PET），用于前列腺癌的显像剂。为了深入了解它们的结合方式，它们还与PSMA的细胞外结构域共结晶。所有类似物均表现出与IC 50不可逆结合的PSMA值范围从0.4到1.3 nM。体外测定显示，PSMA（+）细胞中放射性标记的配体具有结合和快速内在化作用（80–95％，2小时）。体内分布显示CWR22Rv1（PSMA（+））肿瘤具有显着摄取，[ 18 F] 4，[ 18 F] 5和[ 18 F] 6，分别在注射后2小时。在氨基磷酸酯支架中安装氨基己酸（AH）接头可改善其PSMA结合和抑制作用，对于实现合适的体内成像特性，定位[ 18 F] 5和[ 18 F] 6至关重要。 作为未来前列腺癌成像临床试验的有利候选者。
• [EN] DIAGNOSTIC METHODS OF PROSTATE CANCER<br/>[FR] PROCÉDÉS DE DIAGNOSTIC DU CANCER DE LA PROSTATE
  申请人：[en]ADVANCED ACCELERATOR APPLICATIONS

  公开号：WO2022207906A1

  公开（公告）日：2022-10-06

  The present disclosure relates to the field of diagnostic methods, and more particularly prostate cancer imaging. In particular, the disclosure relates to a radiopharmaceutical PSMA-binding compound for use in determining the presence and/or localization of PSMA-positive tumors in a subject in need thereof, wherein said subject has been diagnosed with biochemical recurrence, particularly after radical prostatectomy or radiotherapy, and wherein said radiopharmaceutical compound is the compound of formula (III).