1-(2-{4-[(2-methoxyphenyl)phenanthren-9-ylmethyl]phenoxy}ethyl)pyrrolidine

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 1-(2-{4-[(2-methoxyphenyl)phenanthren-9-ylmethyl]phenoxy}ethyl)pyrrolidine
• 英文别名: 1-[2-[4-[(2-Methoxyphenyl)-(9-phenanthryl)methyl]phenoxy]ethyl]pyrrolidine；1-[2-[4-[(2-methoxyphenyl)-phenanthren-9-ylmethyl]phenoxy]ethyl]pyrrolidine
• 化学式: C₃₄H₃₃NO₂
• 分子量: 487.642
• InChiKey: BGLNCCHRLJSJCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  9-甲醛菲 在 三氯化铝 、 四氯化锡 、 potassium carbonate 、 magnesium 作用下， 以 四氢呋喃 、 丙酮 、 正戊烷 、 苯 为溶剂， 反应 10.0h， 生成 1-(2-{4-[(2-methoxyphenyl)phenanthren-9-ylmethyl]phenoxy}ethyl)pyrrolidine
  参考文献：
  名称：

  Diaryloxy methano phenanthrenes: a new class of antituberculosis agents

  摘要：

  A new series of diaryloxy methano phenanthrenes were prepared through tertiary-aminoalkylations of [(methoxy-phenyl)-phenanthren-9-yl-methyl]-phenols obtained from Friedel-Crafts alkylations on (methoxy-phenyl)-phenanthren-9-yl-methanols. These series of compounds were evaluated against Mycobacterium tuberculosis H37Rv and showed the desired activity in the range of 6.25 mug/mL in vitro. One of the compound 12j protects the mice from the challenge of M. tuberculosis in vivo, as 30% of the mice were survived at treatment of 50mg/kg body weight. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.07.058

文献信息

• Diaryloxy methano phenanthrenes: a new class of antituberculosis agents
  作者：Gautam Panda、Shagufta、Jitendra Kumar Mishra、Vinita Chaturvedi、Anil K. Srivastava、Ranjana Srivastava、Brahm S. Srivastava

  DOI：10.1016/j.bmc.2004.07.058

  日期：2004.10

  A new series of diaryloxy methano phenanthrenes were prepared through tertiary-aminoalkylations of [(methoxy-phenyl)-phenanthren-9-yl-methyl]-phenols obtained from Friedel-Crafts alkylations on (methoxy-phenyl)-phenanthren-9-yl-methanols. These series of compounds were evaluated against Mycobacterium tuberculosis H37Rv and showed the desired activity in the range of 6.25 mug/mL in vitro. One of the compound 12j protects the mice from the challenge of M. tuberculosis in vivo, as 30% of the mice were survived at treatment of 50mg/kg body weight. (C) 2004 Elsevier Ltd. All rights reserved.