四[1-(异氰基)-2-甲氧基-2-甲基丙烷]-铜四氟硼酸盐 | 103694-84-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 四[1-(异氰基)-2-甲氧基-2-甲基丙烷]-铜四氟硼酸盐
• 英文名称: [Cu(MIBI)4]BF4
• 英文别名: tetrakis(2-methoxyisobutylisocyano) copper(I) tetrafluoroborate；[Cu(2-methoxy-isobutyl-isonitrile)4]BF4；Tetrakis(2-methoxyisobutylisocyanide)copper(I) Tetrafluoroborate；copper(1+);1-isocyano-2-methoxy-2-methylpropane;tetrafluoroborate
• CAS: 103694-84-4
• 化学式: BF₄*C₂₄H₄₄CuN₄O₄
• 分子量: 602.988
• InChiKey: WJRFSUVOHUMYAO-UHFFFAOYSA-N

物化性质

• 溶解度：
  soluble in No data available

计算性质

• 辛醇/水分配系数(LogP)：
  6.62
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  54.4
• 氢给体数：
  0
• 氢受体数：
  13

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  [(99)technetium(I)(carbonyl)3(H2O)3] 、 四[1-(异氰基)-2-甲氧基-2-甲基丙烷]-铜四氟硼酸盐 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 [(99)Tc(CO)2(2-methoxy-isobutyl-isonitrile)4](1+)
  参考文献：
  名称：

  Preparation and biological evaluation of 99mTc-CO-MIBI as myocardial perfusion imaging agent

  摘要：

  Tc-99m-Sestamibi has been playing an important role in the cardiac imaging for the last decades. Previously, we reported that [Tc-99m(CO)(3)(MIBI)(3)](+) demonstrated a significant location in myocardium with a lower liver uptake as compared with Tc-99m-Sestamibi. In this work, we found that new [Tc-99m(CO)(2)(MIBI)(4)](+) could be prepared with high radiochemical purity. The inter-transformations between [Tc-99m(CO)(3)(H2O)(MIBI)(2)](+), [Tc-99m(CO)(3)(MIBI)(3)](+), and [Tc-99m(CO)(2)(MIBI)(4)](+) were investigated and biodistribution was performed to evaluate the [(99m) Tc(CO)(2)(MIBI)(4)](+) as a myocardial perfusion imaging agent. The results showed that one more CO was replaced by MIBI slowing down the pharmacokinetics. The structure characterization was performed on their corresponding rhenium complexes, and the results indicated that there were differences between Tc-99m-CO-MIBI and Re-CO-MIBI in preparation and hydrophobic characteristics. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.02.006
• 作为产物：
  描述：

  1-异氰基-2-甲氧基-2-甲基丙烷 、 氟硼酸铵 、 copper(l) chloride 以 乙醇 为溶剂， 以50%的产率得到四[1-(异氰基)-2-甲氧基-2-甲基丙烷]-铜四氟硼酸盐
  参考文献：
  名称：

  Synthesis, characterization and spectroscopic properties of [CuI(alkylisocyanide)4]BF4 complexes. X-ray crystal structures of [Cu(MIBI)4]BF4 and [Cu(CPI)4]BF4

  摘要：

  Alkylisocyanide complexes of copper(I) with formula [Cu(CNR)(4)]BF4 [where R = 2-methoxyisobutyl and 2-(carbomethoxy)-2-methylethyl] were synthesized by direct reaction of cuprous chloride with ligand. The stability of solid complexes and their aqueous solutions were tested by HPLC. Comparative studies were carried out on electronic, IR and H-1 NMR spectroscopy. Crystal structures of [Cu(MIBI)(4)]BF4 and [Cu(CPI)(4)]BF4 were determined from X-ray data and show a tetrahedral arrangement of ligands around the central copper atom in both compounds. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(96)00566-9

文献信息

• Synthesis, characterization and X-ray crystal structure of the trigonal-planar copper(I) complex [Cu(MIBI)3]+ (MIBI=2-methoxyisobutylisocyanide)
  作者：Micol Pasquali、Valeria Ferretti、Adriano Duatti

  DOI：10.1016/j.poly.2008.05.018

  日期：2008.8

  The synthesis, spectroscopic and chromatographic characterization, and X-ray crystal structure of the complex tris(2-methoxyisobutylisocyano) copper(I) tetrafluoroborate, [Cu(MIBI)3][BF4], is reported. The Cu atom lies on threefold axis and is bonded to three 2-methoxyisobutylisocyano ligands in a perfect trigonal-planar coordination. The calculated and experimental powder-diffraction spectra of this

  摘要报道了复杂的三（2-甲氧基异丁基异氰基）四氟硼酸铜（I）[Cu（MIBI）3] [BF4]的合成，光谱和色谱特征，以及X射线晶体结构。Cu原子位于三重轴上，并以完美的三角平面配位键合至三个2-甲氧基异丁基异氰基配体。还报道了该配合物的计算和实验粉末衍射光谱。
• 99mTc(N)-DBODC(5), a potential radiolabeled probe for SPECT of multidrug resistance: in vitro study
  作者：Cristina Bolzati、Davide Carta、Valentina Gandin、Cristina Marzano、Nicolò Morellato、Nicola Salvarese、Mariangela Cantore、Nicola Antonio Colabufo

  DOI：10.1007/s00775-013-0997-1

  日期：2013.6

  resistance (MDR) P-glycoprotein (P-gp) transport function open up the possibility to extend its clinical applications to tumor imaging and noninvasive MDR studies. The rate of uptake at 4 and 37 degrees C of (99m)Tc(N)-DBODC(5) was evaluated in vitro in selected human cancer cell lines and in the corresponding sublines before and after P-gp and/or MDR-associated protein (MRP) modulator/inhibitor treatment

  [(99m)Tc(N)(DBODC)(PNP5)](+) [DBODC是双(N-乙氧基乙基)二硫代氨基甲酸；PNP5 是双（二甲氧基丙基膦基乙基）乙氧基乙胺]，缩写为 (99m)Tc(N)-DBODC(5)，是一种亲脂性阳离子混合化合物，可用作心肌显像剂。该示踪剂通过负线粒体膜电位介导的机制在线粒体结构中积累，并且 (99m)Tc(N)-DBODC(5) 从非靶组织的快速流出似乎与多药耐药性 (MDR) 相关。 ) P-糖蛋白 (P-gp) 转运功能开辟了将其临床应用扩展到肿瘤成像和无创 MDR 研究的可能性。(99m)Tc(N)-DBODC(5) 在 4 和 37 摄氏度下的吸收率在选定的人类癌细胞系和 P-gp 和/或 MDR 相关的前后相应亚系中进行了体外评估。使用 (99m) Tc-sestamibi 作为参考的蛋白质 (MRP) 调节剂/抑制剂处理。结果表明（1）（99m）Tc（
• Preparation and Preliminary Evaluation of a Promising ^99mTc-Labeled Isonitrile-Containing 6-Thia-Fatty Acid Derivative for Myocardial Metabolism Imaging
  作者：Yu Fang、Ye Li、Huaju Liang、Wenyan Li、Huabei Zhang

  DOI：10.1021/acs.jmedchem.2c01853

  日期：2023.3.23

  For over 40 years, none of the previous 99mTc-labeled fatty acids for myocardial imaging has potential clinical use. 99mTc-(C10-6-thia-CO2H)(MIBI)5 is the first 99mTc-labeled fatty acid to exhibit good myocardial uptake (2.06 ± 0.06%ID/g) at 60 min post injection, high heart-to-liver ratio (6.43 ± 1.85 and 9.68 ± 0.76), high heart-to-lung ratio (9.48 ± 1.39 and 11.02 ± 0.89), and high heart-to-blood

  40 多年来，以前用于心肌成像的99m Tc 标记脂肪酸都没有潜在的临床用途。99m Tc-(C10-6-thia-CO 2 H)(MIBI) 5是第一个99m Tc 标记的脂肪酸，在注射后 60 分钟表现出良好的心肌摄取 (2.06 ± 0.06%ID/g)，高心脏- 60 时的肝比（6.43 ± 1.85 和 9.68 ± 0.76）、高心肺比（9.48 ± 1.39 和 11.02 ± 0.89）和高心血比（164.01 ± 43.51 和 197.36 ± 32.29）在 Sprague-Dawley (SD) 大鼠中分别为 120 分钟和 120 分钟。它还展示了出色的心肌成像质量。上述目标与非目标比率超过[ 123 I]BMIPP并且在 60 和 120 分钟时高于或接近99m Tc-MIBI。大多数99m Tc-(C10-6-thia-CO 2 H)(MIBI) 5在心肌中被