methyl 6-[3-[1-[6-[[(E)-3-[1-[3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enyl]amino]-6-oxohexyl]-3,3,5-trimethylindol-2-ylidene]prop-1-enyl]-1-ethylpyridin-1-ium-3-carboxylate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: methyl 6-[3-[1-[6-[[(E)-3-[1-[3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enyl]amino]-6-oxohexyl]-3,3,5-trimethylindol-2-ylidene]prop-1-enyl]-1-ethylpyridin-1-ium-3-carboxylate
• 化学式: C41H55N5O18P3+
• 分子量: 998.8
• InChiKey: FEZJQCJUGPFPIG-VAWYXSNFSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  67
• 可旋转键数：
  22
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  321
• 氢给体数：
  8
• 氢受体数：
  19

文献信息

• Methods for detecting the presence, location or quantity of targets using novel dyes
  申请人：Xiang Yuejun

  公开号：US20100041020A1

  公开（公告）日：2010-02-18

  The present invention provides dyes, reactive dyes and labeled reagents that may be used in the detection or quantification of desirable target molecules, such as proteins and nucleic acids. Dyes are provided that may be used free in solution where the binding of the dye to the target molecule provides signal generation. Dyes are also provided that comprise reactive groups that may be used to attach the dyes to probes that will bind to desirable target molecules. The novel dyes of the present invention have been modified by the addition of charged and polar groups to provide beneficial properties.

  本发明提供了染料、反应性染料和标记试剂，可用于检测或定量所需的目标分子，例如蛋白质和核酸。提供了可在溶液中自由使用的染料，其中染料与目标分子的结合提供信号生成。还提供了包含反应性基团的染料，可用于将染料连接到将结合到所需目标分子的探针上。本发明的新型染料已通过添加带电和极性基团进行改性，以提供有益的性质。
• Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules
  申请人：Xiang Yuejun

  公开号：US20100228008A1

  公开（公告）日：2010-09-09

  The present invention provides dyes, reactive dyes and labeled reagents that may be used in the detection or quantification of desirable target molecules, such as proteins and nucleic acids. Dyes are provided that may be used free in solution where the binding of the dye to the target molecule provides signal generation. Dyes are also provided that comprise reactive groups that may be used to attach the dyes to probes that will bind to desirable target molecules. The novel dyes of the present invention have been modified by the addition of charged and polar groups to provide beneficial properties.

  本发明提供了染料、反应染料和标记试剂，可用于检测或定量所需的目标分子，如蛋白质和核酸。提供了可在溶液中自由使用的染料，其中染料与目标分子的结合提供信号发生。还提供了包含反应基团的染料，可用于将染料附着到探针上，以结合所需的目标分子。本发明的新型染料经过修饰，添加了带电和极性基团，以提供有益的性质。
• US7569695B2
  申请人：——

  公开号：US7569695B2

  公开（公告）日：2009-08-04
• US8153802B2
  申请人：——

  公开号：US8153802B2

  公开（公告）日：2012-04-10