12-N,15-N-bis[2-(diethylamino)ethyl]-2,7-dimethyl-5-oxo-4,17-dioxa-13,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,8,11(16),12,14-heptaene-12,15-dicarboxamide | 1241898-96-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 12-N,15-N-bis[2-(diethylamino)ethyl]-2,7-dimethyl-5-oxo-4,17-dioxa-13,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,8,11(16),12,14-heptaene-12,15-dicarboxamide
• CAS: 1241898-96-3
• 化学式: C₂₉H₃₈N₆O₅
• 分子量: 550.658
• InChiKey: PBKHUFZROXDULL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N,N-二乙基乙二胺 、 6,10-dimethyl-1,4-bis(methoxycarbonyl)pyridazino[4,5-h]psoralen 在 magnesium chloride 作用下， 以 二氯甲烷 为溶剂， 以40%的产率得到12-N,15-N-bis[2-(diethylamino)ethyl]-2,7-dimethyl-5-oxo-4,17-dioxa-13,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,8,11(16),12,14-heptaene-12,15-dicarboxamide
  参考文献：
  名称：

  Pyridazinopsoralens of wide chemotherapeutic interest

  摘要：

  The synthesis of new 6,10-dimethylpyridazino[4,5-h] psoralens, carrying no (4), one (5), or two (6-9) dialkylaminoalkylcarboxamide side chains on the pyridazine ring is reported. All compounds exert a significant photoantiproliferative activity. Moreover, the derivatives characterised by the protonable side chains show a notable cytotoxicity in the dark. The investigation on the mechanism of action demonstrated the capacity to intercalate into DNA base pairs and to inhibit the relaxation activity of topoisomerase II. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.006

文献信息

• Pyridazinopsoralens of wide chemotherapeutic interest
  作者：Lisa Dalla Via、Ornella Gia、Sebastiano Marciani Magno、Alessandra Braga、José Carlos González-Gómez、Lázaro Guillermo Pérez-Montoto、Eugenio Uriarte

  DOI：10.1016/j.bmc.2010.06.006

  日期：2010.8

  The synthesis of new 6,10-dimethylpyridazino[4,5-h] psoralens, carrying no (4), one (5), or two (6-9) dialkylaminoalkylcarboxamide side chains on the pyridazine ring is reported. All compounds exert a significant photoantiproliferative activity. Moreover, the derivatives characterised by the protonable side chains show a notable cytotoxicity in the dark. The investigation on the mechanism of action demonstrated the capacity to intercalate into DNA base pairs and to inhibit the relaxation activity of topoisomerase II. (C) 2010 Elsevier Ltd. All rights reserved.