3-(10-chloro-9-anthryl)-N-[5-[3-[[4-[[3-(10-chloro-9-anthryl)-5-methyl-isoxazole-4-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propylcarbamoyl]-1-methyl-pyrrol-3-yl]-5-methyl-isoxazole-4-carboxamide | 1186216-91-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 3-(10-chloro-9-anthryl)-N-[5-[3-[[4-[[3-(10-chloro-9-anthryl)-5-methyl-isoxazole-4-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propylcarbamoyl]-1-methyl-pyrrol-3-yl]-5-methyl-isoxazole-4-carboxamide
• 英文别名: NSC 746593；3-(10-chloroanthracen-9-yl)-N-[5-[3-[[4-[[3-(10-chloroanthracen-9-yl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propylcarbamoyl]-1-methylpyrrol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
• CAS: 1186216-91-0
• 化学式: C₅₃H₄₂Cl₂N₈O₆
• 分子量: 957.872
• InChiKey: FFYWYPGSPCEWLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  69
• 可旋转键数：
  12
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  、 3-(10'-chloro-9'-anthracenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester 在 samarium(III) chloride 、 三甲基铝 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 5.0h， 生成 3-(10-chloro-9-anthryl)-N-[5-[3-[[4-[[3-(10-chloro-9-anthryl)-5-methyl-isoxazole-4-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propylcarbamoyl]-1-methyl-pyrrol-3-yl]-5-methyl-isoxazole-4-carboxamide
  参考文献：
  名称：

  Bis-anthracenyl isoxazolyl amides have enhanced anticancer activity

  摘要：

  Dimeric analogs of Anthracenyl Isoxazole Amides (AIMs) (the designation AIM is in honor of the memory of Professor Albert I. Meyers) were prepared and dimer 6 exhibited the highest efficacy to date for this class of anti-tumor compounds against the human glioma Central Nervous System cell line SNB-19. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.019

文献信息

• Bis-anthracenyl isoxazolyl amides have enhanced anticancer activity
  作者：Mariusz P. Gajewski、Howard Beall、Mark Schnieder、Sarah M. Stranahan、Michael D. Mosher、Kevin C. Rider、Nicholas R. Natale

  DOI：10.1016/j.bmcl.2009.06.019

  日期：2009.8

  Dimeric analogs of Anthracenyl Isoxazole Amides (AIMs) (the designation AIM is in honor of the memory of Professor Albert I. Meyers) were prepared and dimer 6 exhibited the highest efficacy to date for this class of anti-tumor compounds against the human glioma Central Nervous System cell line SNB-19. (C) 2009 Elsevier Ltd. All rights reserved.