17,18-Dimethoxy-13-(2-piperidin-1-ylethyl)-6,8-dioxa-13-azapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-1,3,5(9),10,12(19),15,17-heptaen-14-one | 1170694-28-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 马兜铃内酰胺
• 英文名称: 17,18-Dimethoxy-13-(2-piperidin-1-ylethyl)-6,8-dioxa-13-azapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-1,3,5(9),10,12(19),15,17-heptaen-14-one
• CAS: 1170694-28-6
• 化学式: C₂₅H₂₆N₂O₅
• 分子量: 434.492
• InChiKey: VLBGOZABSUWQNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  60.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-bromo-5,6-dimethoxy-2-(2-(piperidin-1-yl)ethyl)isoindolin-1-one 、 (4-formyl-1,3-benzodioxol-5-yl)boronic acid 在 四(三苯基膦)钯 、 caesium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 0.17h， 以42%的产率得到17,18-Dimethoxy-13-(2-piperidin-1-ylethyl)-6,8-dioxa-13-azapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-1,3,5(9),10,12(19),15,17-heptaen-14-one
  参考文献：
  名称：

  Synthesis of aristolactam analogues and evaluation of their antitumor activity

  摘要：

  A series of natural aristolactams and their analogues have been prepared and evaluated for antitumor activity against human cancer cells, including multi-drug resistant cell lines. Naturally occurring aristolactams, such as aristolactam BII (cepharanone B), aristolactam BIII, aristolactam FI (piperolactam A), N-methyl piperolactam A, and sauristolactam showed moderate antitumor activities in selected cell lines. However, several synthetic aristolactam derivatives exhibited potent antitumor activities against a broad array of cancer cell lines with GI(50) values in the submicromolar range. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.020

文献信息

• Synthesis of aristolactam analogues and evaluation of their antitumor activity
  作者：Young Lok Choi、Joa Kyum Kim、Sang-Un Choi、Yong-Ki Min、Myung-Ae Bae、Bum Tae Kim、Jung-Nyoung Heo

  DOI：10.1016/j.bmcl.2009.04.020

  日期：2009.6

  A series of natural aristolactams and their analogues have been prepared and evaluated for antitumor activity against human cancer cells, including multi-drug resistant cell lines. Naturally occurring aristolactams, such as aristolactam BII (cepharanone B), aristolactam BIII, aristolactam FI (piperolactam A), N-methyl piperolactam A, and sauristolactam showed moderate antitumor activities in selected cell lines. However, several synthetic aristolactam derivatives exhibited potent antitumor activities against a broad array of cancer cell lines with GI(50) values in the submicromolar range. (C) 2009 Elsevier Ltd. All rights reserved.