10-Hydroxy-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 10-Hydroxy-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
• 英文别名: 10-hydroxy-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
• 化学式: C₁₄H₁₇NO₃
• 分子量: 247.294
• InChiKey: JRUHENFFWZZQEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  对溴三氟甲氧基苯 、 10-Hydroxy-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以11.111%的产率得到
  参考文献：
  名称：

  Design and synthesis of D1 agonist/D2 antagonist for treatment of schizophrenia

  摘要：

  A series of tetrahydroisoquinolines were designed, synthesized and evaluated as the first non-natural product type of compounds with dual D-1 receptor (D1R) agonism and D-2 receptor (D2R) antagonism properties for treatment of schizophrenia. The initial SAR of the series was explored. The lead in the series, 3g, exhibited high affinity and good potency. Compound 3g displayed 95% of D1R occupancy (10 mg/kg, sc) and 75% of D2R occupancy (10 mg/kg, sc) in the striatum of male CD-1 mice. The series exhibited unique pharmacology and merit as tool compounds for target validation and future optimizations. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.046
• 作为产物：
  描述：

  7-羟基-6-甲氧基-3,4-二氢异喹啉 、 丁烯酮 反应 1.0h， 生成 10-Hydroxy-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
  参考文献：
  名称：

  Design and synthesis of D1 agonist/D2 antagonist for treatment of schizophrenia

  摘要：

  A series of tetrahydroisoquinolines were designed, synthesized and evaluated as the first non-natural product type of compounds with dual D-1 receptor (D1R) agonism and D-2 receptor (D2R) antagonism properties for treatment of schizophrenia. The initial SAR of the series was explored. The lead in the series, 3g, exhibited high affinity and good potency. Compound 3g displayed 95% of D1R occupancy (10 mg/kg, sc) and 75% of D2R occupancy (10 mg/kg, sc) in the striatum of male CD-1 mice. The series exhibited unique pharmacology and merit as tool compounds for target validation and future optimizations. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.046