3-((5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)prop-1-enyl)-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium

• 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: 3-((5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)prop-1-enyl)-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium
• 英文别名: 4-[(2Z)-5-(1,3,2-dithiarsolan-2-yl)-2-[(Z)-3-[5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate
• 化学式: C₃₅H₄₆As₂N₂O₆S₆
• 分子量: 932.999
• InChiKey: UDHHTMYURAAYGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.64
• 重原子数：
  51
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  236
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  1-(4-磺基丁基)-2,3,3-三甲基吲哚鎓内盐 在 乙酸酐 、 溶剂黄146 、 三氟乙酸 、 mercury(II) oxide 作用下， 反应 20.0h， 生成 3-((5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)prop-1-enyl)-5-(1,3,2-dithiarsolan-2-yl)-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium
  参考文献：
  名称：

  A Red Cy3-Based Biarsenical Fluorescent Probe Targeted to a Complementary Binding Peptide

  摘要：

  We have synthesized a red biarsenical fluorescent probe, AsCy3, with good photostability, low pH sensitivity, high absorbance, and good quantum yield. It is directed specifically to a small tetracysteine peptide binding motif, Cy3TAG (CysCysLysAlaGluAlaAlaCysCys), in the presence of other tetracysteine tags. This new probe provides a FRET partner to biarsenical dye FlAsH, making this discovery an important step toward a whole toolkit of colored probes directed to different small peptide motifs.

  DOI：

  10.1021/ja070003c

文献信息

• A Red Cy3-Based Biarsenical Fluorescent Probe Targeted to a Complementary Binding Peptide
  作者：Haishi Cao、Yijia Xiong、Ting Wang、Baowei Chen、Thomas C. Squier、M. Uljana Mayer

  DOI：10.1021/ja070003c

  日期：2007.7.1

  We have synthesized a red biarsenical fluorescent probe, AsCy3, with good photostability, low pH sensitivity, high absorbance, and good quantum yield. It is directed specifically to a small tetracysteine peptide binding motif, Cy3TAG (CysCysLysAlaGluAlaAlaCysCys), in the presence of other tetracysteine tags. This new probe provides a FRET partner to biarsenical dye FlAsH, making this discovery an important step toward a whole toolkit of colored probes directed to different small peptide motifs.