hirsutine N4-oxide

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 柯楠因类生物碱
• 英文名称: hirsutine N4-oxide
• 英文别名: methyl (E)-2-[(2S,3R,12bR)-3-ethyl-5-oxido-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl]-3-methoxyprop-2-enoate
• 化学式: C₂₂H₂₈N₂O₄
• 分子量: 384.475
• InChiKey: NLSMUKLVXQHTTD-YUYIACDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  4

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  毛钩藤碱	hirsutine	7729-23-9	C22H28N2O3	368.476

反应信息

• 作为产物：
  描述：

  毛钩藤碱 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 hirsutine N4-oxide
  参考文献：
  名称：

  Discovery of anti-influenza A virus activity of a corynanthe-type indole alkaloid, hirsutine, in vitro and the structure-activity relationship of natural and synthetic analogs

  摘要：

  An indole alkaloid, hirsutine (1), was found to exhibit potent inhibitory effect against influenza A virus in vitro, and the essential structural feature for revealing the activity was elucidated by study of the structure-activity relationship using natural and synthetic derivatives of 1. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10154-8

文献信息

• Discovery of anti-influenza A virus activity of a corynanthe-type indole alkaloid, hirsutine, in vitro and the structure-activity relationship of natural and synthetic analogs
  作者：Hiromitsu Takayama、Yasuo Iimura、Mariko Kitajima、Norio Aimi、Kenji Konno、Hiroshi Inoue、Masatoshi Fujiwara、Tadashi Mizuta、Tomoyuki Yokota、Shiro Shigeta、Kenji Tokuhisa、Yasuaki Hanasaki、Kimio Katsuura

  DOI：10.1016/s0960-894x(97)10154-8

  日期：1997.12

  An indole alkaloid, hirsutine (1), was found to exhibit potent inhibitory effect against influenza A virus in vitro, and the essential structural feature for revealing the activity was elucidated by study of the structure-activity relationship using natural and synthetic derivatives of 1. (C) 1997 Elsevier Science Ltd.