2-[3-(1-carboxy-5-(7-[1-carboxy-5-(carboxymethylpyridin-2-ylmethylamino)pentylcarbamoyl]heptanoylamino)pentyl)ureido]pentanedioic acid | 1228969-17-2

• 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: 2-[3-(1-carboxy-5-(7-[1-carboxy-5-(carboxymethylpyridin-2-ylmethylamino)pentylcarbamoyl]heptanoylamino)pentyl)ureido]pentanedioic acid
• 英文别名: (22S,26S)-9,16,24-trioxo-2-(pyridine-2-ylmethyl)-2,8,17,23,25-penta-azaoctacosane-1,7,22,26,28-pentacarboxylicacid；(2S)-2-[[(1S)-1-carboxy-5-[[8-[[(1S)-1-carboxy-5-[carboxymethyl(pyridin-2-ylmethyl)amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
• CAS: 1228969-17-2
• 化学式: C₃₄H₅₂N₆O₁₃
• 分子量: 752.819
• InChiKey: SNRZWIFPSGJBSR-GSDHBNRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  53
• 可旋转键数：
  30
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  302
• 氢给体数：
  9
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  2-[3-(1-carboxy-5-(7-[1-carboxy-5-(carboxymethylpyridin-2-ylmethylamino)pentylcarbamoyl]heptanoylamino)pentyl)ureido]pentanedioic acid 、 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 以13.3 mg的产率得到[Re(CO)₃][(7S,22S,26S)-9,16,24-trioxo-2-(pyridin-2-ylmethyl)-2,8,17,23,25-pentaazaoctacosane-1,7,22,26,28-pentacarboxylic acid]
  参考文献：
  名称：

  Bis(imidazolyl)compounds and radionuclide complexes

  摘要：

  公开号：

  EP2706057B1
• 作为产物：
  描述：

  双琥珀酰亚胺辛二酸酯 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[3-(1-carboxy-5-(7-[1-carboxy-5-(carboxymethylpyridin-2-ylmethylamino)pentylcarbamoyl]heptanoylamino)pentyl)ureido]pentanedioic acid
  参考文献：
  名称：

  Bis(imidazolyl)compounds and radionuclide complexes

  摘要：

  公开号：

  EP2706057B1

文献信息

• JP5856247
  申请人：——

  公开号：——

  公开（公告）日：——
• Effect of Chelators on the Pharmacokinetics of ^99mTc-Labeled Imaging Agents for the Prostate-Specific Membrane Antigen (PSMA)
  作者：Sangeeta Ray Banerjee、Mrudula Pullambhatla、Catherine A. Foss、Alexander Falk、Youngjoo Byun、Sridhar Nimmagadda、Ronnie C. Mease、Martin G. Pomper

  DOI：10.1021/jm400823w

  日期：2013.8.8

  Technetium-99m, the most commonly used radionuclide in nuclear medicine, can be attached to biologically important molecules through a variety of chelating agents, the choice of which depends upon the imaging application. The prostate-specific membrane antigen (PSMA) is increasingly recognized as an important target for imaging and therapy of prostate cancer (PCa). Three different Tc-99m-labeling methods were employed to investigate the effect of the chelator on the biodistribution and PCa tumor uptake profiles of 12 new urea-based PSMA-targeted radiotracers. This series includes hydrophilic ligands for radiolabeling with the [Tc-99m(CO)(3)](+) core (L8-L10), traditional NxSy-based chelating agents with varying charge and polarity for the Tc-99m-oxo core (L11-L18), and a Tc-99m-organohydrazine-labeled radioligand (L19). Tc-99m(I)-Tricarbonyl-labeled [Tc-99m]L8 produced the highest PSMA+ PC3 PIP to PSMA- PC3 flu tumor ratios and demonstrated the lowest retention in normal tissues including kidney after 2 h. These results suggest that choice of chelator is an important pharmacokinetic consideration in the development of Tc-99m-labeled radiopharmaceuticals targeting PSMA.