11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepine-4-carbaldehyde O-ethyl oxime | 1215174-15-4

• 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: 11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepine-4-carbaldehyde O-ethyl oxime
• CAS: 1215174-15-4
• 化学式: C₂₂H₂₅ClN₂O₂
• 分子量: 384.906
• InChiKey: HSUMSZZOHVUKPB-RBBKRZOGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.35
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  45.06
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (6aS,13bS)-11-chloro-12-hydroxy-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepine-4-carbaldehyde 、 乙氧基胺盐酸盐 在 吡啶 作用下， 生成 11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepine-4-carbaldehyde O-ethyl oxime
  参考文献：
  名称：

  Remote functionalization of SCH 39166: Discovery of potent and selective benzazepine dopamine D1 receptor antagonists

  摘要：

  A series of novel benzazepine derived dopamine D-1 antagonists have been discovered. These compounds are highly potent at D1 and showed excellent selectivity over D-2 and D-4 receptors. SAR studies revealed that a variety of functional groups are tolerated on the D-ring of known tetracyclic benzazepine analog 2, SCH 39166, leading to compounds with nanomolar potency at D-1 and good selectivity over D-2-like receptors. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.12.094