[(R)-6-(4-Methoxy-phenylsulfanylmethyl)-1,2,3,4-tetrahydro-naphthalen-2-yl]-((S)-1-phenyl-ethyl)-propyl-amine | 175443-15-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: [(R)-6-(4-Methoxy-phenylsulfanylmethyl)-1,2,3,4-tetrahydro-naphthalen-2-yl]-((S)-1-phenyl-ethyl)-propyl-amine
• CAS: 175443-15-9
• 化学式: C₂₉H₃₅NOS
• 分子量: 445.669
• InChiKey: WIIPQZGULFFHEY-WXVAWEFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.32
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  12.47
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [(R)-6-(4-Methoxy-phenylsulfanylmethyl)-1,2,3,4-tetrahydro-naphthalen-2-yl]-((S)-1-phenyl-ethyl)-propyl-amine 在 Oxone 作用下， 以 水 、 异丙醇 为溶剂， 以93%的产率得到[(R)-6-(4-Methoxy-benzenesulfonylmethyl)-1,2,3,4-tetrahydro-naphthalen-2-yl]-((S)-1-phenyl-ethyl)-propyl-amine
  参考文献：
  名称：

  Novel 6-substituted 2-aminotetralins with potent and selective affinity for the dopamine D3 receptor

  摘要：

  Starting from (1S,2R)-5-methoxy-1-methyl-2-N,N-dipropylaminotetralin [(+)-UH-232] as a lead structure, a series of novel 6-substituted 2-aminotetralins have been discovered which show high affinity for dopamine D-3 receptors. One compound, GR218231, exhibits ca. 400 fold selectivity for the dopamine D-3 receptor over the D-2 receptor and ca. 10,000 fold selectivity with respect to D-1 and D-4 receptors.

  DOI：

  10.1016/0960-894x(96)00043-1
• 作为产物：
  描述：

  6-溴-2-四氢萘酮 在 氯化亚砜 、 三乙酰氧基硼氢化钠 、 sodium carbonate 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 生成 [(R)-6-(4-Methoxy-phenylsulfanylmethyl)-1,2,3,4-tetrahydro-naphthalen-2-yl]-((S)-1-phenyl-ethyl)-propyl-amine
  参考文献：
  名称：

  Novel 6-substituted 2-aminotetralins with potent and selective affinity for the dopamine D3 receptor

  摘要：

  Starting from (1S,2R)-5-methoxy-1-methyl-2-N,N-dipropylaminotetralin [(+)-UH-232] as a lead structure, a series of novel 6-substituted 2-aminotetralins have been discovered which show high affinity for dopamine D-3 receptors. One compound, GR218231, exhibits ca. 400 fold selectivity for the dopamine D-3 receptor over the D-2 receptor and ca. 10,000 fold selectivity with respect to D-1 and D-4 receptors.

  DOI：

  10.1016/0960-894x(96)00043-1