[(188)Re(CO)3(H2O)3]+ | 215669-78-6

• 英文名称: [(188)Re(CO)3(H2O)3]+
• CAS: 215669-78-6
• 化学式: C₃H₆O₆Re
• 分子量: 326.077
• InChiKey: LCFDJDJVODTZLU-ZKPGHZHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  methyl 2-(4-{[(2-hydroxyphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)acetate 、 [(188)Re(CO)3(H2O)3]+ 以 aq. phosphate buffer 为溶剂， 反应 0.33h， 以71%的产率得到
  参考文献：
  名称：

  基于 N2O 三齿点击支架的铼配合物：从合成、结构和理论表征到放射性标记研究

  摘要：

  一系列新型半刚性双功能螯合剂 (BCA) 的通用合成方法，包括芳环和螯合单元中的三唑基部分，用于 fac-[M(CO)3]+ 核 (M = 185/187Re或 188Re) 进行了研究。该策略包括轻松制备这些带有各种功能化臂（羧酸盐、末端炔烃、芳香胺……）的 N2O 配体。商业 [Re(CO)5Cl]（或新制备的 [Re(H2O)3(CO)3]Brprecursor）与我们的 BCA 在甲醇中的反应导致形成稳定的中性三羰基铼配合物，通式为 [Re(CO) 3(L)] (LH = 5, 10, 11)，收率高。这些化合物的特征在于化合物 [Re(CO)3(5)] 和 [Re(CO)3(11)] 的红外、质谱、核磁共振、电化学、X 射线晶体学以及 DFT 计算。类似的铼-188 配合物 [188Re(CO)3(5)] 和 [188Re(CO)3(11)] 也通过 5 或 11 与 fac-[188Re

  DOI：

  10.1002/ejic.201600877
• 作为产物：
  描述：

  在 NaOH 、 aq. HCl 作用下， 以 乙醇 、 水 为溶剂， 生成 [(188)Re(CO)3(H2O)3]+
  参考文献：
  名称：

  A simple single-step synthesis of [⁹⁹Tc₃H₃(CO)₁₂] from [⁹⁹TcO₄]^–and its X-ray crystal structure. Application to the production of no-carrier added [¹⁸⁸Re₃H₃(CO)₁₂]

  摘要：

  Reduction of no-carrier added [(ReO4)-Re-188](-) (ng range) in thf-[NBu(4)]Cl with BH3 . thf under an atmosphere of CO yields [(ReCl3)-Re-188(CO)(3)](2-) and [Re-188(3)(mu-H)(3)(CO)(12)]; under similar conditions as with [(ReO4)-Re-188](-), the first mu-hydrido-bridged Tc-99 hydride carbonyl complex is prepared and structurally characterised.

  DOI：

  10.1039/cc9960001291

文献信息

• Synthesis and biological evaluation of RGD peptides with the^99mTc/¹⁸⁸Re chelated iminodiacetate core: highly enhanced uptake and excretion kinetics of theranostics against tumor angiogenesis
  作者：Byung Chul Lee、Byung Seok Moon、Ji Sun Kim、Jae Ho Jung、Hyun Soo Park、John A. Katzenellenbogen、Sang Eun Kim

  DOI：10.1039/c2ra22460g

  日期：——

  To develop a companion set of RGD-based agents for diagnostic and radiotherapeutic purposes, facile incorporation of 99mTc(CO)3 or 188Re(CO)3 into the same precursor produced, respectively, a structurally and functionally matched radiodiagnostic and radiotherapeutic—or theranostic—pair. This work presents the synthesis of two 99mTc-labeled RGD monomers (4 and 5) along with a 99mTc-labeled RGD dimer (6) and an investigation of the influence of the small-sized and negatively charged 99mTc-iminodiacetate (IDA) core on the in vitro and in vivo behavior of these three different RGD analogs for imaging integrin αvβ3 expression. Among the three 99mTc-IDA-RGD analogs, 6 exhibited the highest integrin binding affinity with an IC50 value of 0.5 nM and a tumor uptake with an ID/g value of 12.3 ± 5.15% at 60 min post-injection, whereas liver and intestinal levels remained relatively low with good metabolic stability (>97%), presumably because of the overall negative charge of the radiometal chelating system. Both 99mTc/188Re-labeled compounds (6 and 7), which were prepared from the precursor (18), provided a good tumor accumulation and a clearly visible image of the tumor with high contrast, as compared to the contralateral background in the U87-MG xenograft model. These data support the use of 99mTc- and 188Re-IDA-D-[c(RGDfK)]2 as a matched radio-theragnostic pair that can be used to individualize radiotherapy for angiogenesis-dependent cancer.

  为了开发用于诊断和放射治疗目的的 RGD 类配套制剂，将 99mTc(CO)3 或 188Re(CO)3 简单地掺入相同的前体，可分别产生结构和功能上匹配的放射诊断和放射治疗--或治疗--对。这项工作展示了两种 99mTc 标记的 RGD 单体（4 和 5）以及一种 99mTc 标记的 RGD 二聚体（6）的合成，并研究了小尺寸和带负电荷的 99mTc-iminodiacetate (IDA) 核心对这三种不同 RGD 类似物在体外和体内成像整合素 αvβ3 表达行为的影响。在三种 99mTc-IDA-RGD 类似物中，6 的整合素结合亲和力最高，IC50 值为 0.5 nM，注射后 60 分钟的肿瘤摄取 ID/g 值为 12.3 ± 5.15%，而肝脏和肠道中的含量相对较低，代谢稳定性良好（>97%），这可能是由于放射性金属螯合系统的整体负电荷。在 U87-MG 异种移植模型中，由前体（18）制备的两种 99mTc/188Re 标记化合物（6 和 7）都能提供良好的肿瘤蓄积和清晰可见的高对比度肿瘤图像。这些数据支持使用 99mTc- 和 188Re-IDA-D-[c(RGDfK)]2 作为匹配的放射-他诊断配对，可用于血管生成依赖性癌症的个体化放疗。
• Differences between the macroscopic and tracer level chemistry of rhenium and technetium: contrasting cage isomerisation behaviour of Re(i) and Tc(i) carborane complexes
  作者：Andrea F. Armstrong、John F. Valliant

  DOI：10.1039/c0dt00490a

  日期：——

  Carboranes form stable complexes with the [M(CO)3]+ (M = 99mTc, Re) core and are viable ligands for the development of targeted radiopharmaceuticals. 99mTc-carborane complexes were found to exhibit substantially different 1,2→1,7 cage isomerisation behaviour than their Re counterparts, challenging the validity of the routine use of rhenium as a surrogate for the development of technetium-99m based molecular imaging agents.

  碳硼烷与 [M(CO)3]+ (M = 99mTc, Re) 核心形成稳定的复合物，是开发靶向放射性药物的可行配体。 99mTc-碳硼烷配合物被发现表现出与 Re 对应物截然不同的 1,2→1,7 笼异构化行为，挑战了常规使用铼作为开发基于锝-99m 的分子成像剂的替代品的有效性。
• Histidine derivatives as tridentate chelators for the fac-[MI(CO)3] (Re, 99mTc, 188Re) core: Synthesis, structural characterization, radiochemistry and stability
  作者：Dionysia Papagiannopoulou、Charalambos Tsoukalas、George Makris、Catherine P. Raptopoulou、Vassilis Psycharis、Leondios Leondiadis、Ewa Gniazdowska、Przemyslaw Koźmiński、Leon Fuks、Maria Pelecanou、Ioannis Pirmettis、Minas S. Papadopoulos

  DOI：10.1016/j.ica.2011.08.062

  日期：2011.11

  The development of new rhenium(I)- and technetium(I)–tricarbonyl complexes can lead to potentially useful radiopharmaceuticals. In this work, the synthesis of the neutral rhenium complex fac-[Re(NSO)(CO)3], Re-1, where NSO is the tridentate chelating agent 3-(1H-imidazol-4-yl)-2-(p-methoxy-benzylthio)propionic acid 1 was effected via reaction with (NEt4)2[ReBr3(CO)3] in the presence of NaHCO3. Complex

  新的（（I）和tech（I）-三羰基配合物的开发可以导致潜在有用的放射性药物。在这项工作中，中性rh配合物fac- [Re（NSO）（CO）3 ]，Re-1的合成，其中NSO是三齿螯合剂3-（1H-咪唑-4-基）-2-（在NaHCO 3的存在下，通过与（NEt 4）2 [ReBr 3（CO）3 ]反应实现对-甲氧基-苄硫基）丙酸1。复杂的重新1从甲醇/水中结晶出来，用IR，确立了其结构1 H和13C NMR光谱学，ESI-MS分析和X射线晶体学。当反应在不存在碱的情况下进行时，HPLC分析表明存在第二种产物（收率7％），该产物通过NMR和ESI分析指定为复杂的fac- [Re（NS）（CO）3 Br] Re -2。在示踪剂水平上，合成了类似的复合物fac- [ 99m Tc（NSO）（CO）3 ]，99m Tc-1和fac- [ 188 Re（NSO）（CO）3 ]，188 Re-1，测定
• [EN] BISPHOSPHONATE COMPOUNDS FOR CHELATING RADIONUCLIDES<br/>[FR] COMPOSÉS DE BISPHOSPHONATE DESTINÉS À CHÉLATER DES RADIONUCLÉIDES
  申请人：KING S COLLEGE LONDON

  公开号：WO2010116132A3

  公开（公告）日：2011-05-12
• Preparation and radiolabeling of surface-modified magnetic nanoparticles with rhenium-188 for magnetic targeted radiotherapy
  作者：Jinquan Cao、Yongxian Wang、Junfeng Yu、Jiaoyun Xia、Chunfu Zhang、Duanzhi Yin、Urs O. Häfeli

  DOI：10.1016/j.jmmm.2003.10.022

  日期：2004.6

  Magnetite nanoparticles coated with silica were synthesized and characterized by electron microscopic methods (SEM and TEM) and crystal structure analysis (XRD). After surface modification with an amino silane coupling agent, N-[3-(trimethyoxysilyl) propyl]-ethylenediamine (SG-Si900), histidine was covalently linked to the amine group using glutaraldehyde as cross.-linker. The magnetic nanoparticles were then radiolabeled with Re-188 with a labeling yield of 91.4 +/- 0.3% and good stability in vitro. The labeling mechanism is suggested as fac-[Re-188(CO)(3)(H2O)(3)](+) core complexed with imidazolyl groups. (C) 2003 Elsevier B.V. All rights reserved.