{(R)-6-[((S)-1-Phenyl-ethyl)-propyl-amino]-5,6,7,8-tetrahydro-naphthalen-2-yl}-methanol | 175443-14-8

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: {(R)-6-[((S)-1-Phenyl-ethyl)-propyl-amino]-5,6,7,8-tetrahydro-naphthalen-2-yl}-methanol
• CAS: 175443-14-8
• 化学式: C₂₂H₂₉NO
• 分子量: 323.478
• InChiKey: HZIWLWLSBWVLMV-HTAPYJJXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  23.47
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  {(R)-6-[((S)-1-Phenyl-ethyl)-propyl-amino]-5,6,7,8-tetrahydro-naphthalen-2-yl}-methanol 在 Oxone 、 氯化亚砜 、 sodium carbonate 作用下， 以 水 、 异丙醇 为溶剂， 生成 [(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 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 生成 {(R)-6-[((S)-1-Phenyl-ethyl)-propyl-amino]-5,6,7,8-tetrahydro-naphthalen-2-yl}-methanol
  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