6-Azepan-1-ylmethyl-2-[4,4-bis-(4-fluorophenyl)-butyl]-1,2,3,4-tetrahydroisoquinolin-5-ol

• 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: 6-Azepan-1-ylmethyl-2-[4,4-bis-(4-fluorophenyl)-butyl]-1,2,3,4-tetrahydroisoquinolin-5-ol
• 英文别名: 6-Azepan-1-ylmethyl-2-[4,4-bis-(4-fluoro-phenyl)-butyl]-1,2,3,4-tetrahydro-isoquinolin-5-ol；6-(azepan-1-ylmethyl)-2-[4,4-bis(4-fluorophenyl)butyl]-3,4-dihydro-1H-isoquinolin-5-ol
• 化学式: C₃₂H₃₈F₂N₂O
• 分子量: 504.663
• InChiKey: OGCRITYNYRWHGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  26.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-羟基异喹啉 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 25.0~80.0 ℃ 、344.73 kPa 条件下， 生成 6-Azepan-1-ylmethyl-2-[4,4-bis-(4-fluorophenyl)-butyl]-1,2,3,4-tetrahydroisoquinolin-5-ol
  参考文献：
  名称：

  Synthesis and structure-activity relationship of substituted 1,2,3,4-tetrahydroisoquinolines as N-type calcium channel blockers

  摘要：

  Voltage Activated Calcium Channel (VACC) blockers have been demonstrated to have utility in the treatment of pain and stroke. A series of aminomethyl substituted isoquinolinol derivatives with potent functional activity for N-type VACC's have been identified. Their synthesis and preliminary pharmacology are discussed herein. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00440-5

文献信息

• Substituted quinolines and isoquinolines as calcium channel blockers,
  申请人：Warner-Lambert Company

  公开号：US05767129A1

  公开（公告）日：1998-06-16

  The present invention relates to novel substituted quinolines and isoquinolines and derivatives thereof useful in the treatment of neurological disorders. Methods of preparing the compounds, intermediates useful in the preparation and pharmaceutical compositions containing the compounds are also included. The compounds are useful in treating pain, cerebral ischemia, and other cerebrovascular disorders.

  本发明涉及新型取代喹啉和异喹啉及其衍生物，用于治疗神经系统疾病。制备这些化合物的方法，用于制备的中间体以及含有这些化合物的药物组合物也包括在内。这些化合物可用于治疗疼痛、脑缺血和其他脑血管疾病。
• US5767129A
  申请人：——

  公开号：US5767129A

  公开（公告）日：1998-06-16
• US5932573A
  申请人：——

  公开号：US5932573A

  公开（公告）日：1999-08-03
• Synthesis and structure-activity relationship of substituted 1,2,3,4-tetrahydroisoquinolines as N-type calcium channel blockers
  作者：Po-wai Yuen、Robert M. Schelkun、Balazs Szoke、Katalin Tarczy-Hornoch

  DOI：10.1016/s0960-894x(98)00440-5

  日期：1998.9

  Voltage Activated Calcium Channel (VACC) blockers have been demonstrated to have utility in the treatment of pain and stroke. A series of aminomethyl substituted isoquinolinol derivatives with potent functional activity for N-type VACC's have been identified. Their synthesis and preliminary pharmacology are discussed herein. (C) 1998 Elsevier Science Ltd. All rights reserved.