N-[5-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-pyridin-2-yl]-acetamide | 192714-58-2

• 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: N-[5-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-pyridin-2-yl]-acetamide
• 英文别名: N-[5-[4-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethylamino]butyl]pyridin-2-yl]acetamide
• CAS: 192714-58-2
• 化学式: C₂₉H₃₄N₄O
• 分子量: 454.615
• InChiKey: LOKNCKTZVGYNJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  69.8
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[5-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-pyridin-2-yl]-acetamide 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 5-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-pyridin-2-ylamine
  参考文献：
  名称：

  Heterocyclic Derivatives of 2-(3,5-Dimethylphenyl)tryptamine as GnRH Receptor Antagonists

  摘要：

  A series of heterocyclic 2-(3,5-dimethylphenyl)tryptamine derivatives was prepared and evaluated on a rat gonadotropin releasing hormone receptor assay. The carbon tether length and heterocyclic ring attached to the amino group of 2-(3,5-dimethylphenyl)tryptamine were varied. Several of these derivatives were potent GnRH antagonists with the most potent compound having an IC50 of 16nM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00133-0
• 作为产物：
  描述：

  N-[5-(4-Hydroxy-but-1-ynyl)-pyridin-2-yl]-acetamide 在 platinum(IV) oxide 草酰氯 、 氢气 、 sodium cyanoborohydride 、 magnesium sulfate 、 二甲基亚砜 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 生成 N-[5-(4-{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-pyridin-2-yl]-acetamide
  参考文献：
  名称：

  Heterocyclic Derivatives of 2-(3,5-Dimethylphenyl)tryptamine as GnRH Receptor Antagonists

  摘要：

  A series of heterocyclic 2-(3,5-dimethylphenyl)tryptamine derivatives was prepared and evaluated on a rat gonadotropin releasing hormone receptor assay. The carbon tether length and heterocyclic ring attached to the amino group of 2-(3,5-dimethylphenyl)tryptamine were varied. Several of these derivatives were potent GnRH antagonists with the most potent compound having an IC50 of 16nM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00133-0