4-(1H-Indol-3-yl)-N-methylcyclohex-3-enamine | 1297611-94-9

• 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-(1H-Indol-3-yl)-N-methylcyclohex-3-enamine
• CAS: 1297611-94-9
• 化学式: C₁₅H₁₈N₂
• 分子量: 226.321
• InChiKey: LUQBETDFLVZPPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  27.82
• 氢给体数：
  2.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-(1H-Indol-3-yl)-N-methylcyclohex-3-enamine 在 一水合肼 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Biotin tethered homotryptamine derivatives: High affinity probes of the human serotonin transporter (hSERT)

  摘要：

  Quantum dot conjugates of compounds capable of inhibiting the serotonin transporter (SERT) could form the basis of fluorescent probes for live cell imaging of membrane bound SERT. Additionally, quantum dot-SERT antagonist conjugates may be amenable to fluorescence-based, high-throughput assays for this transporter. This Letter describes the synthesis of SERT-selective ligands amenable to conjugation to quantum dots via a biotin-streptavidin binding interaction. SERT selectivity and affinity were incorporated into the ligand via a tetrahydropyridine or cyclohexylamine derivative and the affinity of these compounds for SERT was measured by their ability to produce SERT-dependent currents in Xenopus laveis oocytes. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.102
• 作为产物：
  描述：

  N-甲基-1,4-二噁螺[4.5]-8-癸胺 在 三氟乙酸 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 26.0h， 生成 4-(1H-Indol-3-yl)-N-methylcyclohex-3-enamine
  参考文献：
  名称：

  Biotin tethered homotryptamine derivatives: High affinity probes of the human serotonin transporter (hSERT)

  摘要：

  Quantum dot conjugates of compounds capable of inhibiting the serotonin transporter (SERT) could form the basis of fluorescent probes for live cell imaging of membrane bound SERT. Additionally, quantum dot-SERT antagonist conjugates may be amenable to fluorescence-based, high-throughput assays for this transporter. This Letter describes the synthesis of SERT-selective ligands amenable to conjugation to quantum dots via a biotin-streptavidin binding interaction. SERT selectivity and affinity were incorporated into the ligand via a tetrahydropyridine or cyclohexylamine derivative and the affinity of these compounds for SERT was measured by their ability to produce SERT-dependent currents in Xenopus laveis oocytes. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.102