4-[2-(4-diethylaminomethyl-phenyl)-1,9b-dihydro-5-oxa-3,3a-diaza-cyclopenta[a]-naphthalene-4-carbonyl]-benzonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[2-(4-diethylaminomethyl-phenyl)-1,9b-dihydro-5-oxa-3,3a-diaza-cyclopenta[a]-naphthalene-4-carbonyl]-benzonitrile
• 英文别名: 4-[2-[4-(diethylaminomethyl)phenyl]-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5-carbonyl]benzonitrile
• 化学式: C₂₉H₂₈N₄O₂
• 分子量: 464.567
• InChiKey: GAAMJLKVJGHBKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  68.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对氰基苯乙酮 在 对甲苯磺酸 selenium(IV) oxide 、 三乙酰氧基硼氢化钠 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 甲苯 为溶剂， 反应 25.75h， 生成 4-[2-(4-diethylaminomethyl-phenyl)-1,9b-dihydro-5-oxa-3,3a-diaza-cyclopenta[a]-naphthalene-4-carbonyl]-benzonitrile
  参考文献：
  名称：

  WO2006/108828

  摘要：

  公开号：

文献信息

• (1,10B-Dihydro-2-(Aminoalkyl-Phenyl)-5H-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors
  申请人：Tahri Abdellah

  公开号：US20080214534A1

  公开（公告）日：2008-09-04

  The present invention relates to 5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl methanone derivatives as inhibitors of the viral replication of the HIV virus, processes for their preparation as well as pharmaceutical compositions, their use as medicines, and diagnostic kits comprising them. The present invention also concerns combinations of the present HIV inhibitors with other anti-retroviral agents. It further relates to their use in assays as reference compounds or as reagents. The compounds of the present invention are useful for preventing or treating infection by HIV and for treating AIDS.
• (1,10B-DIHYDRO-2-(AMINOALKYL-PHENYL)-5H-PYRAZOLO[1,5 C][1,3]BENZOXAZIN-5-YL)PHENYL METHANONE DERIVATIVES AS HIV VIRAL REPLICATION INHIBITORS
  申请人：TAHRI Abdellah

  公开号：US20090048242A1

  公开（公告）日：2009-02-19

  The present invention relates to 5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl methanone derivatives as inhibitors of the viral replication of the HIV virus, processes for their preparation as well as pharmaceutical compositions, their use as medicines, and diagnostic kits comprising them. The present invention also concerns combinations of the present HIV inhibitors with other anti-retroviral agents. It further relates to their use in assays as reference compounds or as reagents. The compounds of the present invention are useful for preventing or treating infection by HIV and for treating AIDS.
• US7465727B2
  申请人：——

  公开号：US7465727B2

  公开（公告）日：2008-12-16
• US7745432B2
  申请人：——

  公开号：US7745432B2

  公开（公告）日：2010-06-29
• WO2006/108828
  申请人：——

  公开号：——

  公开（公告）日：——