(2E)-1-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methyl]-2-[(2E,4E)-5-[5-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexoxy]-methylcarbamoyl]-3,3-dimethyl-7-(3-sulfopropyl)pyrrolo[2,3-b]pyridin-7-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole-6-sulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2E)-1-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methyl]-2-[(2E,4E)-5-[5-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexoxy]-methylcarbamoyl]-3,3-dimethyl-7-(3-sulfopropyl)pyrrolo[2,3-b]pyridin-7-ium-2-yl]penta-2,4-dienylidene]-1,3-dimethylbenzo[e]indole-6-sulfonic acid
• 化学式: C55H59N6O16S2+
• 分子量: 1124.2
• InChiKey: RIPDMMUUZIEKQQ-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  79
• 可旋转键数：
  23
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  302
• 氢给体数：
  2
• 氢受体数：
  18

文献信息

• HYDROXAMATE SUBSTITUTED AZAINDOLINE-CYANINE DYES AND BIOCONJUGATES OF THE SAME
  申请人：Becton, Dickinson and Company

  公开号：US20140127717A1

  公开（公告）日：2014-05-08

  Hydroxamate substituted azaindoline cyanine dyes, conjugates thereof and methods of using the same are provided. The subject cyanine dyes include an azaindoline ring having a hydroxamate substituent. The dyes may further include a reactive group moieties (RGM) and/or a water soluble group. Also provided are conjugates of the subject dyes. Also provided are tandem conjugates including a fluorescent protein capable of energy transfer to the dye. Methods of detecting an analyte in a sample by contacting the sample with a detection reagent are provided. The detection agent may be a dye-conjugate that specifically binds the analyte, or may be a reactive dye which conjugates to the analyte. Also provided are compositions, e.g., kits, etc., incorporating such dyes which facilitate use in such methods.
• US9012643B2
  申请人：——

  公开号：US9012643B2

  公开（公告）日：2015-04-21