(R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-yl)benzyl)-N-methylbenzenesulfonamide | 1215022-59-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: (R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-yl)benzyl)-N-methylbenzenesulfonamide
• 英文别名: N-[[4-[(5R)-8-chloro-7-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl]phenyl]methyl]-N-methylbenzenesulfonamide
• CAS: 1215022-59-5
• 化学式: C₂₅H₂₇ClN₂O₃S
• 分子量: 471.02
• InChiKey: FDYARYSVVYXICE-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  69.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 生成 (R)-N-(4-(7-chloro-8-hydroxy-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-yl)benzyl)-N-methylbenzenesulfonamide
  参考文献：
  名称：

  Discovery of new SCH 39166 analogs as potent and selective dopamine D1 receptor antagonists

  摘要：

  A series of novel dopamine D-1 antagonists derived from functionalization of the D-ring of SCH 39166 were prepared. A number of these compounds displayed subnanomolar D-1 activity and more than 1000-fold selectivity over D-2. We found C-3 derivatization afforded compounds with superior overall pro. le in comparison to the C-2 and C-4 derivatization. A number of highly potent D-1 antagonists were discovered which have excellent selectivity over other dopamine receptors and improved PK pro. le compared to SCH 39166. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.100