4-[2-[5-[3-[6-[2-(2,5-Dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-4,5,6,7-tetrafluoro-3-methyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-4,5,6,7-tetrafluoro-3-methyl-1-(4-sulfobutyl)indol-3-yl]butane-1-sulfonic acid

• 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: 4-[2-[5-[3-[6-[2-(2,5-Dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-4,5,6,7-tetrafluoro-3-methyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-4,5,6,7-tetrafluoro-3-methyl-1-(4-sulfobutyl)indol-3-yl]butane-1-sulfonic acid
• 英文别名: 4-[2-[5-[3-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-4,5,6,7-tetrafluoro-3-methyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-4,5,6,7-tetrafluoro-3-methyl-1-(4-sulfobutyl)indol-3-yl]butane-1-sulfonic acid
• 化学式: C47H55F8N4O12S3+
• 分子量: 1116.1
• InChiKey: OYSDKECQDLMALP-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  74
• 可旋转键数：
  27
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  261
• 氢给体数：
  4
• 氢受体数：
  21

文献信息

• WATER-SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS
  申请人：COOPER EDWARD MICHAEL

  公开号：US20060239922A1

  公开（公告）日：2006-10-26

  Disclosed are cyanine dyes that are useful for labelling and detecting biological and other materials. The dyes are of formula (I): in which at least one of groups R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 R 11 , R 12 , R 13 and R 14 is -L-M or -L-P, where L is a linking group, M is a target bonding group and P is a conjugated component, and at least one of groups R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 comprises fluorine. The use of cyanine dyes substituted by fluorine and having additional substitution with three or more sulphonic acid groups for labelling biological target molecules results in a labelled product in which there is reduced dye-dye aggregation and improved photostability, compared with cyanine dyes having no such substitutions. The dyes of the present invention are particularly useful in assays involving fluorescence detection where continual or repeated excitation is a requirement, for example in kinetic studies, or in microarray analyses where microarray slides may need to be reanalysed over a period of days.

  揭示了一种对于标记和检测生物和其他材料有用的青霉素染料。该染料的化学式为（I）：其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13和R14中的至少一个是-L-M或-L-P，其中L是连接基团，M是目标键合基团，P是共轭组分，并且R3、R4、R5、R6、R7、R8、R9和R10中的至少一个包含氟。通过用氟取代并具有三个或更多磺酸基团的青霉素染料标记生物靶分子，得到的标记产品中减少了染料-染料聚集并提高了光稳定性，与没有这种取代的青霉素染料相比。本发明的染料在涉及荧光检测的分析中特别有用，其中需要连续或重复激发，例如在动力学研究中，或在微阵列分析中，微阵列玻片可能需要在数天内重新分析。
• US7767829B2
  申请人：——

  公开号：US7767829B2

  公开（公告）日：2010-08-03