11-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-undecanoic acid {4-[3-(4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenyl}-amide | 910295-53-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 11-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-undecanoic acid {4-[3-(4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenyl}-amide
• CAS: 910295-53-3
• 化学式: C₄₇H₅₆F₂N₄O₄
• 分子量: 778.983
• InChiKey: UZCRABMFVGVOMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.07
• 重原子数：
  57.0
• 可旋转键数：
  22.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  82.19
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  11-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-undecanoic acid {4-[3-(4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenyl}-amide 在 肼 作用下， 以 乙醇 为溶剂， 以72%的产率得到11-Amino-undecanoic acid {4-[3-(4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenyl}-amide
  参考文献：
  名称：

  High affinity inhibitors of the dopamine transporter (DAT): Novel biotinylated ligands for conjugation to quantum dots

  摘要：

  Compounds capable of inhibiting the dopamine transporter protein (DAT) that can be conjugated to cadmium selenide/zinc sulfide/core shell nanocrystals may be used to image the location and distribution of the DAT in neuronal cell membranes. This letter describes the synthesis of biotinylated analogs of the DAT antagonists GBR 12909 and GBR 12935 that can be attached to streptavidin coated cadmium selenide/zinc sulfide/core shell nanocrystals. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.097
• 作为产物：
  描述：

  11-phthalimidoundecanoic acid 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 11-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-undecanoic acid {4-[3-(4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenyl}-amide
  参考文献：
  名称：

  High affinity inhibitors of the dopamine transporter (DAT): Novel biotinylated ligands for conjugation to quantum dots

  摘要：

  Compounds capable of inhibiting the dopamine transporter protein (DAT) that can be conjugated to cadmium selenide/zinc sulfide/core shell nanocrystals may be used to image the location and distribution of the DAT in neuronal cell membranes. This letter describes the synthesis of biotinylated analogs of the DAT antagonists GBR 12909 and GBR 12935 that can be attached to streptavidin coated cadmium selenide/zinc sulfide/core shell nanocrystals. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.097