fac[^99mTc(OH₂)₃(CO)₃]⁺ | 524744-56-7

• 英文名称: fac[^99mTc(OH₂)₃(CO)₃]⁺
• 英文别名: fac-[(99)tecnetium(cabonyl)3(bromide)3][tetraehtylammonium]2；(99m)Tc(CO)3(H2O)3(1+)
• CAS: 524744-56-7；524730-33-4
• 化学式: C₃H₆O₆Tc
• 分子量: 235.984
• InChiKey: UYWXNROSZRRMAU-UHFFFAOYSA-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：

  fac[^99mTc(OH₂)₃(CO)₃]⁺ 、 3-[2-(2-pyridin-2-yl-ethylsulfanyl)ethylamino]propionic acid hydrochloride 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.33h， 以98%的产率得到fac-[(99)techetium(cabonyl)3(3-[2-(2-pyridin-2-yl-ethylsulfanyl)ethylamino]propionic acid)][bromide]
  参考文献：
  名称：

  一种新的双功能三齿NSN配体，导致阳离子三羰基fac- [M（NSN）（CO）3] +（M = Re，99mTc）络合物

  摘要：

  摘要新型NSN三齿双齿螯合剂3- [2-（2'-吡啶-2-基-乙基硫烷基）乙氨基]丙酸（作为盐酸盐1）及其相应的complex配合物fac-的合成与表征。描述了[Re（NSN）（CO）3] +，2。两种化合物均通过元素分析，IR和NMR光谱以及X射线晶体学进行了表征。在络合物2中，around周围的配位几何结构呈八面体形，NSN原子参与配位球，而羧酸盐基团保持游离。在示踪剂水平上，通过使配体1与fac-[99m Tc（H 2 O）3（CO）3反应，可以高收率获得类似的复合物fac-[99m Tc（NSN）（CO）3] +，3。 ] +前体在pH 6.5。通过HPLC与原型complex络合物2的比较确定了3的结构。配合物3在溶液中以及在强配位剂如组氨酸或半胱氨酸的存在下是稳定的。我们的数据表明，配体1可用作潜在的99m Tc放射性药物设计中的双功能NSN螯合剂。

  DOI：

  10.1016/j.ica.2013.02.001
• 作为产物：
  描述：

  、 水 以 水 为溶剂， 生成 fac[^99mTc(OH₂)₃(CO)₃]⁺
  参考文献：
  名称：

  Synthesis and properties of 99Tc(I) and 99m Tc(I) hexacarbonyl in aqueous solutions

  摘要：

  A procedure was developed for preparing Tc(CO)(6)ClO4 by carbonylation of a solution of technetium( I) tricarbonyltriaqua complex in 2 M HClO4 in a pressure vessel at 100-170 degrees C and CO pressure of 150 atm. The hexacarbonyltechnetium cation in solution was characterized by IR and Tc-99 NMR spectroscopy, and also by high-performance liquid chromatography (HPLC). The effect of particular acid and of synthesis conditions on the yield of the hexacarbonyltechnetium cation was examined, and the stability of this cation in aqueous solutions was evaluated. Conditions were found for preparing an aqueous solution containing Tc-99m(CO)(6)(+).

  DOI：

  10.1134/s1066362209020040

文献信息

• CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING
  申请人：Reiley Pharmaceuticals, Inc.

  公开号：US20150374858A1

  公开（公告）日：2015-12-31

  Conjugates derived from non-steroidal anti-inflammatory drugs (NSAIDs) and methods of use thereof are disclosed, useful for, inter alia, identifying and localizing the site of pathology and/or inflammation responsible for the sensation of pain in a patient; for identifying the sites of primary, secondary, benign, or malignant tumors; and for diagnosing infection or confirming or ruling out suspected infection. The NSAID-based conjugates contain an imaging moiety. The conjugates concentrate at sites of increased cyclooxygenase expression, thus revealing the sites of increased prostaglandin production, which is correlated with pain and inflammation, and correlated with tumor presence and/or location. Identifying areas of increased COX expressing can also aid in screening for infections.

  披露了来自非甾体抗炎药（NSAIDs）的衍生物及其使用方法，这对于识别和定位患者疼痛感觉的病理和/或炎症部位；识别原发、继发、良性或恶性肿瘤的部位；以及诊断感染或确认或排除疑似感染非常有用。基于NSAID的偶联物含有成像基团。这些偶联物在环氧化酶表达增加的部位富集，从而揭示了前列腺素产生增加的部位，这与疼痛和炎症有关，并与肿瘤存在和/或位置有关。识别COX表达增加的区域也有助于筛查感染。
• Evaluation and comparison of ^99m Tc‐labeled <scp>d</scp> ‐glucosamine derivatives with different ^99m Tc cores as potential tumor imaging agents
  作者：Xuran Zhang、Qianqian Gan、Qing Ruan、Di Xiao、Junbo Zhang

  DOI：10.1002/aoc.6008

  日期：2020.12

  [99mTc(I)(CO)3]+ core and [99mTc(I)]+ core to produce stable 99mTc complexes, therefore developing a 99mTc‐labeled isocyanide complex for single‐photon emission computed tomography (SPECT) imaging is considered to be of great interest. In order to develop potential tumor imaging agents with satisfied tumor uptake and suitable pharmacokinetic properties in vivo, a novel d‐glucosamine isocyanide derivative, 4‐isocyano‐N‐(2

  异氰酸酯是一种强配位配体，可以与[ 99m Tc（I）（CO）3 ] +核芯和[ 99m Tc（I）] +核芯配位，生成稳定的99m Tc络合物，因此开发了99m Tc标记的异氰酸酯络合物单光子发射计算机断层扫描（SPECT）成像被认为是非常令人感兴趣的。为了开发具有令人满意的肿瘤吸收和体内合适的药代动力学特性的潜在肿瘤显像剂，一种新型的d-氨基葡萄糖异氰酸酯衍生物4-异氰基N-（2,4,5-三羟基-6-（羟甲基）四氢-2 H合成了吡喃-3-基丁酰胺（CN3DG），并用[ 99m Tc（I）] +和[ 99m Tc（CO）3 ] +核进行了放射性标记，获得了[ 99m Tc（CN3DG）6 ] +和[ 99m Tc（CO）3（CN3DG）3 ] +放射性标记产率高（> 95％）。两种配合物均表现出良好的亲水性和体外稳定性。在S180细胞中进行的细胞摄取研究表明，它们被葡萄糖转运蛋白转运到细
• A two-step strategy to radiolabel choline phospholipids with 99m Tc in S180 cell membranes via strain-promoted cyclooctyne–azide cycloaddition reaction
  作者：Qingxin Chen、Taiwei Chu

  DOI：10.1016/j.bmcl.2016.10.026

  日期：2016.11

  this general problem. Functional click synthons were synthesized as pretargeting components: azidoethyl-choline (AECho) serves as tumor marker and azadibenzocyclooctyne (ADIBO) conjugated to bis(2-pieolyl) amine (BPA) ligand (ADIBO-BPA) as 99mTc(CO)3-labeling and azido-binding group. Both in vitro cell experiment and in vivo biodistribution experiment indicate that it is versatile to radiolabel Cho in

  作为肿瘤标志物，用99mTc放射性标记细胞膜中含胆碱（Cho）的磷脂是一项挑战。通过大的配体将金属放射性核素与Cho结合的常规策略会破坏Cho的生物活性，从而导致较低的肿瘤与非肿瘤比率。基于应变促进的环辛炔-叠氮化物环加成（SPAAC）反应的预靶向策略被用来解决这个普遍的问题。合成功能性点击合成子作为预靶向成分：叠氮基乙基胆碱（AECho）作为肿瘤标记物，氮杂二苯并环辛炔（ADIBO）与双（2-pieolyl）胺（BPA）配体（ADIBO-BPA）共轭，标记为99mTc（CO）3-和叠氮基结合基团。体外细胞实验和体内生物分布实验均表明，通过这种两步预靶向策略，它可在细胞膜中放射性标记Cho。我们认为，这种预靶向策略确实可以增强靶标特异性，并减少背景信号以优化成像质量。
• Microwave-Assisted Synthesis of 3,1,2- and 2,1,8-Re(I) and ^99mTc(I)−Metallocarborane Complexes
  作者：Andrew E. C. Green、Patrick W. Causey、Anika S. Louie、Andrea F. Armstrong、Laura E. Harrington、John F. Valliant

  DOI：10.1021/ic0605928

  日期：2006.7.1

  heating was used to prepare eta5-rhenium carborane complexes in aqueous reaction media. For carboranes bearing sterically demanding substituents, isomerization of the cage from 3,1,2 to 2,1,8 derivatives occurred concomitantly with complexation. Microwave heating was equally effective at the tracer level using technetium-99m, affording access to a new class of synthons for designing novel molecular

  微波加热用于在水性反应介质中制备η5-r碳硼烷配合物。对于带有空间上需要的取代基的碳硼烷，笼型从3,1,2到2,1,8衍生物的异构化伴随络合发生。使用tech 99m，微波加热在示踪剂水平上同样有效，为设计新型分子显像剂提供了新型合成子。
• Convenient Cyclopentadiene Modifications for Building Versatile (Radio‐)Metal Cyclopentadienyl Frameworks
  作者：Raphael Lengacher、Henrik Braband、Joshua Csucker、Roger Alberto

  DOI：10.1002/ejic.202100163

  日期：2021.4.26

  building block, bearing an alkyl linker with a terminal chloride and an ester group is described. This building block was modified by nucleophilic substitution, leading to two new fac‐[Re(CO)3]+ containing derivatives of known drug candidates for brain imaging and multi‐drug resistance in cancer in as few as two steps. Furthermore, the chloride was replaced by an azide, which was subsequently coupled to

  描述了双官能团基于环戊二烯的结构单元的合成，该结构单元带有带有末端氯化物和酯基的烷基连接基。通过亲核取代修饰了该结构单元，仅需两个步骤即可生成两个新的fac- [Re（CO）3 ] +，这些衍生物包含已知的候选药物衍生物，可用于脑成像和癌症的多药耐药性。此外，氯化物被叠氮化物替代，随后与作为模型炔烃的苯乙炔偶联，证明了其在进行Click型反应中的多功能性。所得三唑标记为99mTc产生相应的钢琴凳复合物，放射化学纯度为86％。通过与Re同源物共同注射来确认身份。