5-Bromo-N-(4-(4-phenylbenzoylamino)butyl)-2-(R,S)-propylamino-1,2,3,4-tetrahydronaphthalene | 183543-24-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-Bromo-N-(4-(4-phenylbenzoylamino)butyl)-2-(R,S)-propylamino-1,2,3,4-tetrahydronaphthalene
• 英文别名: N-[4-[(5-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-phenylbenzamide
• CAS: 183543-24-0
• 化学式: C₃₀H₃₅BrN₂O
• 分子量: 519.525
• InChiKey: HBJXUXOERUVVGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Bromo-N-(4-(4-phenylbenzoylamino)butyl)-2-(R,S)-propylamino-1,2,3,4-tetrahydronaphthalene 在 四(三苯基膦)钯 、 hydroxide 、 双氧水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6-(R,S)-(N-(4-(4-Phenylbenzoylamino)butyl)propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
  参考文献：
  名称：

  A novel series of 2-aminotetralins with high affinity and selectivity for the dopamine D3 receptor

  摘要：

  A novel series of N-[4-(4-Phenylbenzoylamino)butyl]-1,2,3,4-tetrahydro-2-naphthylamines with high affinity and selectivity for the dopamine D-3 receptor has been prepared. The 5-cyclopropylmethyloxy 3j, methanesulfonyloxy 3k and trifluoromethanesulfonyloxy 3l derivatives represent some of the highest affinity (pKi's 8.6-8.9) and most selective (200-320-fold) dopamine D-3 receptor antagonists reported to date. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00350-8
• 作为产物：
  描述：

  5-溴-3,4-二氢-1H-2-萘酮 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 5-Bromo-N-(4-(4-phenylbenzoylamino)butyl)-2-(R,S)-propylamino-1,2,3,4-tetrahydronaphthalene
  参考文献：
  名称：

  A novel series of 2-aminotetralins with high affinity and selectivity for the dopamine D3 receptor

  摘要：

  A novel series of N-[4-(4-Phenylbenzoylamino)butyl]-1,2,3,4-tetrahydro-2-naphthylamines with high affinity and selectivity for the dopamine D-3 receptor has been prepared. The 5-cyclopropylmethyloxy 3j, methanesulfonyloxy 3k and trifluoromethanesulfonyloxy 3l derivatives represent some of the highest affinity (pKi's 8.6-8.9) and most selective (200-320-fold) dopamine D-3 receptor antagonists reported to date. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00350-8