NODAPA-NCS | 1092370-17-6

• 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: NODAPA-NCS
• 英文别名: 2-[4,7-Bis(carboxymethyl)-1,4,7-triazonan-1-yl]-2-(4-isothiocyanatophenyl)acetic acid
• CAS: 1092370-17-6
• 化学式: C₁₉H₂₄N₄O₆S
• 分子量: 436.489
• InChiKey: BBYZAOFWEOANIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.8
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  166
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  di-tert-butyl 2,2'-(7-(2-(tert-butoxy)-1-(4-isothiocyanatophenyl)-2-oxoethyl)-1,4,7-triazonane-1,4-diyl)diacetate 在 三氟乙酸 作用下， 生成 NODAPA-NCS
  参考文献：
  名称：

  NODAPA-OH and NODAPA-(NCS)n: Synthesis, 68Ga-radiolabelling and in vitro characterisation of novel versatile bifunctional chelators for molecular imaging

  摘要：

  This report concerns synthesis, (68)Ga-radiolabelling and stability data of 1,4,7-triazacyclononane-1,4-diacetic acid-7-p-isothio-cyanatophenyl-acetic acid (NODAPA-NCS), 1,4,7-triazacyclononane-1-acetic acid-4,7-di-p-isothiocyanatophenyl-acetic acid (NODAPA-(NCS) 2) and 1,4,7-triazacyclononane-1,4-diacetic acid-7-p-hydroxyphenyl-acetic acid (NODAPA-OH), versatile bifunctional chelators with potential for molecular imaging. Protein binding and exemplified conjugation are also reported. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.054

文献信息

• USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION
  申请人：Port Marc

  公开号：US20120009124A1

  公开（公告）日：2012-01-12

  The present invention relates to a method for complexation of a chelate with a radionuclide, advantageously gallium, the complexation being carried out advantageously at ambient temperature without heating, by adding the radionuclide to the chelate in a buffer solution, the buffer of this solution comprising between two and five functions for coordination with the radionuclide, each coordination function being independently chosen from a carboxylic acid function and a hydroxyl function, on the condition that the buffer comprises at least one carboxylic acid function and at most two carboxylic acid functions. It also relates to the injectable solution obtained.
• COMPLEX FOLATE-NOTA-Ga68
  申请人：PORT Marc

  公开号：US20120064003A1

  公开（公告）日：2012-03-15

  The present invention concerns a Ga68 complex of formula FOLATE-(LINKER)i-NOTA-Ga 68 in which: 1) FOLATE is a folate compound or a derivative thereof capable of targeting a folate receptor, 2) NOTA is a chelate capable of complexing Ga68 having a NOTA scaffold or derivatives thereof 3) LINKER is a chemical group linking FOLATE and NOTA 4) i is an integer chosen between 0 and 1 wherein NOTA is complexing Ga68
• US8986650B2
  申请人：——

  公开号：US8986650B2

  公开（公告）日：2015-03-24
• NODAPA-OH and NODAPA-(NCS)n: Synthesis, 68Ga-radiolabelling and in vitro characterisation of novel versatile bifunctional chelators for molecular imaging
  作者：Patrick J. Riss、Carsten Kroll、Verena Nagel、Frank Rösch

  DOI：10.1016/j.bmcl.2008.09.054

  日期：2008.10

  This report concerns synthesis, (68)Ga-radiolabelling and stability data of 1,4,7-triazacyclononane-1,4-diacetic acid-7-p-isothio-cyanatophenyl-acetic acid (NODAPA-NCS), 1,4,7-triazacyclononane-1-acetic acid-4,7-di-p-isothiocyanatophenyl-acetic acid (NODAPA-(NCS) 2) and 1,4,7-triazacyclononane-1,4-diacetic acid-7-p-hydroxyphenyl-acetic acid (NODAPA-OH), versatile bifunctional chelators with potential for molecular imaging. Protein binding and exemplified conjugation are also reported. (C) 2008 Elsevier Ltd. All rights reserved.