7-Chloro-10-ethyl-19-(hydroxymethyl)-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15,17,19-nonaen-14-one | 1024498-69-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 7-Chloro-10-ethyl-19-(hydroxymethyl)-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15,17,19-nonaen-14-one
• CAS: 1024498-69-8
• 化学式: C₂₂H₁₇ClN₂O₂
• 分子量: 376.842
• InChiKey: ZZNQKDGDXTXFDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  C₂₃H₁₇ClN₂O₃ 在 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 7-Chloro-10-ethyl-19-(hydroxymethyl)-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15,17,19-nonaen-14-one
  参考文献：
  名称：

  Synthesis and bioevaluation of 22-hydroxyacuminatine analogs

  摘要：

  A series of 22-hydroxyacuminatine analogs was prepared by using different Friedlander condensations. Several of the new compounds were tested for antiproliferative activity on cancer cell lines and for topoisomerase I inhibitory activity. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.082

文献信息

• Synthesis and bioevaluation of 22-hydroxyacuminatine analogs
  作者：François Grillet、Barbora Baumlová、Grégoire Prévost、Jean-François Constant、Sophie Chaumeron、Dennis C.H. Bigg、Andrew E. Greene、Alice Kanazawa

  DOI：10.1016/j.bmcl.2008.01.082

  日期：2008.3

  A series of 22-hydroxyacuminatine analogs was prepared by using different Friedlander condensations. Several of the new compounds were tested for antiproliferative activity on cancer cell lines and for topoisomerase I inhibitory activity. (c) 2008 Elsevier Ltd. All rights reserved.