{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethyl}-[4-(4-nitro-phenyl)-butyl]-amine | 192772-09-1

• 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: {2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethyl}-[4-(4-nitro-phenyl)-butyl]-amine
• 英文别名: N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]-4-(4-nitrophenyl)butan-1-amine
• CAS: 192772-09-1
• 化学式: C₂₈H₃₁N₃O₂
• 分子量: 441.573
• InChiKey: RFYHPXJQXISTIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  {2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethyl}-[4-(4-nitro-phenyl)-butyl]-amine 在 platinum(IV) oxide 氢气 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 生成 tert-butyl N-[4-(4-aminophenyl)butyl]-N-[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]carbamate
  参考文献：
  名称：

  2-(3,5-Dimethylphenyl)tryptamine Derivatives that Bind to the GnRH Receptor

  摘要：

  A series of 2-(3.5-dimethylphenyl)tryptamine derivatives was prepared and evaluated on a rat gonadotropin releasing hormone receptor assay. Some para-substituents on the 4-phenylbutyl side chain attached to the tryptamine nitrogen led to com pounds with potent GnRH receptor binding. The study has helped define structural requirements for GnRH receptor binding for the 2-aryltryptamine GnRH antagonists. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00134-2
• 作为产物：
  描述：

  4-(4-硝基苯)丁酸 在 硼烷四氢呋喃络合物 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 {2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethyl}-[4-(4-nitro-phenyl)-butyl]-amine
  参考文献：
  名称：

  2-(3,5-Dimethylphenyl)tryptamine Derivatives that Bind to the GnRH Receptor

  摘要：

  A series of 2-(3.5-dimethylphenyl)tryptamine derivatives was prepared and evaluated on a rat gonadotropin releasing hormone receptor assay. Some para-substituents on the 4-phenylbutyl side chain attached to the tryptamine nitrogen led to com pounds with potent GnRH receptor binding. The study has helped define structural requirements for GnRH receptor binding for the 2-aryltryptamine GnRH antagonists. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00134-2

文献信息

• 2-(3,5-Dimethylphenyl)tryptamine Derivatives that Bind to the GnRH Receptor
  作者：Peter Lin、Dominick Marino、Jane-Ling Lo、Yi Tien Yang、Kang Cheng、Roy G Smith、Michael H Fisher、Matthew J Wyvratt、Mark T Goulet

  DOI：10.1016/s0960-894x(01)00134-2

  日期：2001.4

  A series of 2-(3.5-dimethylphenyl)tryptamine derivatives was prepared and evaluated on a rat gonadotropin releasing hormone receptor assay. Some para-substituents on the 4-phenylbutyl side chain attached to the tryptamine nitrogen led to com pounds with potent GnRH receptor binding. The study has helped define structural requirements for GnRH receptor binding for the 2-aryltryptamine GnRH antagonists. (C) 2001 Elsevier Science Ltd. All rights reserved.