[(64)Cu(diacetyl-bis(N-4-methylthiosemicarbazonato))] | 213531-97-6

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: [(64)Cu(diacetyl-bis(N-4-methylthiosemicarbazonato))]
• 英文别名: (64)CuATSM；Atsm Cu-64；copper-64(2+);N'-methyl-N-[(E)-[(3E)-3-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]butan-2-ylidene]amino]carbamimidothioate
• CAS: 213531-97-6
• 化学式: C₈H₁₄CuN₆S₂
• 分子量: 322.371
• InChiKey: SBHDKYTVDCRMOE-NLRRAJSESA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.02
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2'-(2,3-丁烷二基亚基)二(N-甲基肼基硫代甲酰胺) 以64的产率得到[(64)Cu(diacetyl-bis(N-4-methylthiosemicarbazonato))]
  参考文献：
  名称：

  Metal delivery agents and therapeutic uses of the same

  摘要：

  本发明涉及金属配合物、其制备过程以及它们作为药物或兽医制剂的用途，特别是用于预防、缓解或改善金属输送能够防止、缓解或改善的疾病的治疗。有许多临床疾病是由于或与金属异常水平（通常为低金属水平）有关。这种类型的疾病包括癌症以及与氧化损伤有关的疾病，更具体地包括神经退行性疾病，如阿尔茨海默病、帕金森病或亨廷顿病。本发明还涉及在制备此类金属配合物中有用的配体。

  公开号：

  US10159679B2

文献信息

• Cellular Uptake of the ATSM−Cu(II) Complex under Hypoxic Conditions
  作者：Gulshan R. Walke、Shelly Meron、Yulia Shenberger、Lada Gevorkyan‐Airapetov、Sharon Ruthstein

  DOI：10.1002/open.202100044

  日期：2021.4

  The Cu(II)‐diacetyl‐bis (N4‐methylthiosemicarbazone) complex (ATSM−Cu(II)) has been suggested as a promising positron emission tomography (PET) agent for hypoxia imaging. Several in‐vivo studies have shown its potential to detect hypoxic tumors. However, its uptake mechanism and its specificity to various cancer cell lines have been less studied. Herein, we tested ATSM−Cu(II) toxicity, uptake, and

  Cu(II)-二乙酰基-双(N4-甲硫缩氨基脲)络合物(ATSM-Cu(II))被认为是一种有前途的正电子发射断层扫描(PET)试剂，用于缺氧成像。几项体内研究表明其检测缺氧肿瘤的潜力。然而，其摄取机制及其对各种癌细胞系的特异性研究较少。在此，我们使用四种不同的细胞类型测试了 ATSM−Cu(II) 的毒性、摄取和还原：(1) 小鼠乳腺癌细胞 (DA-3)、(2) 人胚胎肾细胞 (HEK-293)、( 3）常氧和低氧条件下的乳腺癌细胞（MCF-7）和（4）宫颈癌细胞（Hela）。我们发现 ATSM−Cu(II) 在常氧和缺氧条件下对乳腺癌细胞具有毒性；然而，它对正常 HEK-293 非癌细胞没有毒性。我们发现，在缺氧条件下使用 ATSM−Cu(II) 处理后，乳腺癌细胞中的 Cu(I) 含量高于正常细胞，尽管正常细胞对 ATSM−Cu(II) 的摄取略高比乳腺癌细胞。这项研究表明乳腺癌细胞中
• An automated method for regular productions of copper-64 for PET radiopharmaceuticals
  作者：Paul Burke、Oksana Golovko、John C. Clark、Franklin I. Aigbirhio

  DOI：10.1016/j.ica.2010.01.038

  日期：2010.4

  To facilitate the development of PET radiopharmaceuticals labelled with the positron-emitting radioisotope copper-64 (t(1/2) = 12.7 h) we have developed a fully automated method for its regular productions. Using the Ni-64(p,n) Cu-64 nuclear reaction applied on a 16.5 MeV PETtrace cyclotron the radioisotope is generated in good yields (up to 2 GBq at end-of-synthesis) within 4 h irradiations on nickel-64 (99.6% enrichment) plated onto a gold disk. Based on ion exchange chromatography an automated method has been devised for efficient extraction of the copper-64 in good radionuclide and chemical purity, with ICP-OES analysis determining the concentration of the copper to be 0.14-1.5 ppm. The specific radioactivities of the copper-64 at end-of-synthesis were calculated to be 9.62-77 GB/mu mol. The copper-64 radioisotope obtained from this method was then applied to the radiosynthesis of the hypoxia markers, Cu-64-ATSM and Cu-64-ATSE, which were obtained in good radiochemical yields of >95%. (C) 2010 Elsevier B.V. All rights reserved.