[2-(2-tert-Butyldisulfanyl-acetylamino)-acetylamino]-acetic acid | 220134-01-0

• 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-(2-tert-Butyldisulfanyl-acetylamino)-acetylamino]-acetic acid
• CAS: 220134-01-0
• 化学式: C₁₀H₁₈N₂O₄S₂
• 分子量: 294.396
• InChiKey: INIOQWNFOGBWNO-UHFFFAOYSA-N

物化性质

• 沸点：
  596.881±45.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.291±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.48
• 重原子数：
  18.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  95.5
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 [2-(2-tert-Butyldisulfanyl-acetylamino)-acetylamino]-acetic acid 在 N,N'-二环己基碳二亚胺 作用下， 生成 [2-(2-tert-Butyldisulfanyl-acetylamino)-acetylamino]-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester
  参考文献：
  名称：

  Synthesis of Tc-99m-labeled, modified RNA

  摘要：

  The synthesis of Tc-99m-labeled, modified RNA is reported. This new class of radiopharmaceuticals is of potential interest as target specific imaging agents. The preparation of NBS-conjugated RNA was achieved by coupling S-protected MAG(2)-units to amino modified RNA in solution or on solid support. The starting S-protected MAG(2) building blocks (R-1-S-CH2-CO-Gly-Gly-R-2: R-1 = Ac, Bu-t-S; R-2 = OH, OSu) were obtained by a simple 4- or Ei-step synthesis. The MAG,amide-RNA-conjugates were successfully Tc-99m-labeled with high yield and specific activities of 37MBq/nmol leading to 1:1-Tc-99m-N3S-aptamers. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02193-5
• 作为产物：
  描述：

  carboxy methyl-t-butyl disulfide glycyl glycine t-butylester 在 三氟乙酸 作用下， 生成 [2-(2-tert-Butyldisulfanyl-acetylamino)-acetylamino]-acetic acid
  参考文献：
  名称：

  Synthesis of Tc-99m-labeled, modified RNA

  摘要：

  The synthesis of Tc-99m-labeled, modified RNA is reported. This new class of radiopharmaceuticals is of potential interest as target specific imaging agents. The preparation of NBS-conjugated RNA was achieved by coupling S-protected MAG(2)-units to amino modified RNA in solution or on solid support. The starting S-protected MAG(2) building blocks (R-1-S-CH2-CO-Gly-Gly-R-2: R-1 = Ac, Bu-t-S; R-2 = OH, OSu) were obtained by a simple 4- or Ei-step synthesis. The MAG,amide-RNA-conjugates were successfully Tc-99m-labeled with high yield and specific activities of 37MBq/nmol leading to 1:1-Tc-99m-N3S-aptamers. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02193-5