Methyl 6-[2-[3-[1-[6-[2-[6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoylamino]ethylamino]-6-oxohexyl]-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethylindol-1-ium-2-yl]prop-2-enylidene]-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethylindol-1-yl]hexanoate | 1408230-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Methyl 6-[2-[3-[1-[6-[2-[6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoylamino]ethylamino]-6-oxohexyl]-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethylindol-1-ium-2-yl]prop-2-enylidene]-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethylindol-1-yl]hexanoate
• 英文别名: methyl 6-[2-[3-[1-[6-[2-[6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoylamino]ethylamino]-6-oxohexyl]-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethylindol-1-ium-2-yl]prop-2-enylidene]-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethylindol-1-yl]hexanoate
• CAS: 1408230-56-7
• 化学式: C₇₄H₉₆As₂N₆O₄S₄
• 分子量: 1411.72
• InChiKey: YDQGQMLPWRDXMW-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  14.24
• 重原子数：
  90
• 可旋转键数：
  29
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  198
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  6-[2-[(E)-3-[1-(5-carboxypentyl)-3,3-dimethylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]hexanoic acid;bromide 在 palladium diacetate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 三氟乙酸 、 mercury(II) oxide 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 56.5h， 生成 Methyl 6-[2-[3-[1-[6-[2-[6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoylamino]ethylamino]-6-oxohexyl]-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethylindol-1-ium-2-yl]prop-2-enylidene]-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethylindol-1-yl]hexanoate
  参考文献：
  名称：

  Synthesis of a Targeted Biarsenical Cy3-Cy5 Affinity Probe for Super-resolution Fluorescence Imaging

  摘要：

  Photoswitchable fluorescent probes capable of the targeted labeling of tagged proteins are of significant, interest due to their ability to enable in situ imaging of protein complexes Within native biomolecular assemblies. Here we describe, the synthesis of a fluorescent probe, (ACy3Cy5) and demonstrate the targeted labeling and super resolution imaging of a tagged protein within a supramolecular protein complex.

  DOI：

  10.1021/ja308503x

文献信息

• Synthesis of a Targeted Biarsenical Cy3-Cy5 Affinity Probe for Super-resolution Fluorescence Imaging
  作者：Na Fu、Yijia Xiong、Thomas C. Squier

  DOI：10.1021/ja308503x

  日期：2012.11.14

  Photoswitchable fluorescent probes capable of the targeted labeling of tagged proteins are of significant, interest due to their ability to enable in situ imaging of protein complexes Within native biomolecular assemblies. Here we describe, the synthesis of a fluorescent probe, (ACy3Cy5) and demonstrate the targeted labeling and super resolution imaging of a tagged protein within a supramolecular protein complex.