2-<2-N-Acetyl-anilino-vinyl>-1,1,3-trimethyl-indolium-iodid | 55867-71-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-<2-N-Acetyl-anilino-vinyl>-1,1,3-trimethyl-indolium-iodid
• 英文别名: N-phenyl-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]acetamide
• CAS: 55867-71-5
• 化学式: C₂₁H₂₃N₂O
• 分子量: 319.426
• InChiKey: KGADLYUSGBZFTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  23.3
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• CYANINE DYE LABELLING REAGENTS WITH MESO-SUBSTITUTION
  申请人：Amersham Biosciences Corp.

  公开号：EP1606351A2

  公开（公告）日：2005-12-21
• EP1606351A4
  申请人：——

  公开号：EP1606351A4

  公开（公告）日：2008-10-08
• US7172907B2
  申请人：——

  公开号：US7172907B2

  公开（公告）日：2007-02-06
• [EN] CYANINE DYE LABELLING REAGENTS WITH MESO-SUBSTITUTION<br/>[FR] REACTIFS DE MARQUAGE CONSTITUES DE COLORANTS DE CYANINE A MESO-SUBSTITUTION
  申请人：AMERSHAM BIOSCIENCES CORP

  公开号：WO2004085539A2

  公开（公告）日：2004-10-07

  Disclosed are cyanine dyes having meso-substituents in the polymethine chain linking the heterocyclic ring systems. The dyes are of formula (I) in which groups R3 and R4 are attached to the Z1 ring structure and groups R5 and R6 are attached to the Z2 ring structure, and n = 1, 2 or 3; Z1 and Z2 independently represent the atoms necessary to complete one ring, or two fused ring aromatic or heteroaromatic systems, each ring having five or six atoms selected from carbon atoms and optionally no more than two atoms selected from oxygen, nitrogen and sulphur; X and Y are the same or different and are selected from oxygen, sulphur, -CH=CH- and the group (II) at least one of groups R1, R2, R3, R4, R5, R6 (and R8 and R9 if present) is the group -E-F where E is a spacer group and F is a target bonding group; one of groups R7 is selected from -CN, -Cl, -F, -CF3 and -C(O)R10 wherein R10 is selected from H, C1-C6 alkyl and aryl. Preferred group R7 is meso-substituted -CN, which confers an unexpected hypsochromic shift of approximately 40nm in the emission spectrum, when compared with the corresponding unsubstituted analogue. The dyes are useful for labelling and detecting a variety of target molecules.