N-(4-{[4-(3-aminopropoxy)phenyl][4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride | 1240125-36-3

• 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: N-(4-{[4-(3-aminopropoxy)phenyl][4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride
• 英文别名: [4-[4-[(3-aminopropoxy)phenyl][4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-methanaminium chloride
• CAS: 1240125-36-3
• 化学式: C₂₆H₃₂N₃O*Cl
• 分子量: 438.013
• InChiKey: OFGXSWNTHWCVOL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.13
• 重原子数：
  31.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  41.5
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(4-{[4-(3-aminopropoxy)phenyl][4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride 、 N-(3-(tert-butoxycarbonylamino)-2-(ethoxycarbonylmethyloxy)prop-1-yl)carbamic acid 在 O-(N-succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 1.0h， 生成 N-[4-{4-[3-({[(1,3-diaminopropan-2-yl)oxy]acetyl}amino)propoxy]phenyl}[[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-methanaminium chloride ditrifluoroacetate
  参考文献：
  名称：

  [EN] QUENCHED DENDRIMERIC DYES FOR FLORESCENCE DETECTION
  [FR] COLORANTS DENDRIMÈRES DÉSACTIVÉS POUR DÉTECTION DE BRILLANT

  摘要：

  公开号：

  WO2010096388A4
• 作为产物：
  描述：

  N-[4-[[4-[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propoxy]phenyl][4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-methanaminium chloride 在 肼 作用下， 反应 3.0h， 生成 N-(4-{[4-(3-aminopropoxy)phenyl][4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride
  参考文献：
  名称：

  Fluorogenic Dendrons with Multiple Donor Chromophores as Bright Genetically Targeted and Activated Probes

  摘要：

  We have developed a class of dendron-based fluorogenic dyes (termed dyedrons) comprised of multiple cyanine (Cy3) donors coupled to a single malachite green (MG) acceptor that fluoresce only when the MG is noncovalently but specifically bound to a cognate single chain antibody (scFv). These cell-impermeant dyedrons exploit efficient intramolecular energy transfer from Cy3 donors to stoichiometrically amplify the fluorescence of MG chromophores that are activated by binding to the scFv. These chromophore enhancements, coupled with our optimized scFv, can significantly increase fluorescence emission generated by the dyedron/scFv complex to brightness levels several-fold greater than that for single fluorescent proteins and targeted small molecule fluorophores. Efficient intramolecular quenching of free dyedrons enables sensitive homogeneous (no wash) detection under typical tissue culture conditions, with undetectable nonspecific activation.

  DOI：

  10.1021/ja9099328

文献信息

• Targeted probes of cellular physiology
  申请人：Waggoner Alan

  公开号：US09995679B2

  公开（公告）日：2018-06-12

  Biosensor comprising an activatable acceptor fluorogen linked via a linker to a donor which transfers energy to the fluorogen on detecting an analyte wherein the fluorogen component reacts and a 100 fold increase in intensity results when the fluorogen interacts non-covalently with an activator e.g. fluorogen activator peptide.

  生物传感器，包含一个可激活的受体荧光团，通过一个连接体与供体相连，该供体在检测到分析物时将能量转移给荧光团，其中荧光团组分在非共价地与激活剂如荧光团激活肽相互作用时发生反应，并导致强度增加100倍。