Methyl 10-ethyl-7-methyl-14-oxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20),16,18-nonaene-19-carboxylate | 1024498-65-4

• 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: Methyl 10-ethyl-7-methyl-14-oxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20),16,18-nonaene-19-carboxylate
• CAS: 1024498-65-4
• 化学式: C₂₄H₂₀N₂O₃
• 分子量: 384.434
• InChiKey: RSRJWEIZWONGMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  59.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 10-ethyl-7-methyl-14-oxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20),16,18-nonaene-19-carboxylate 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 10-Ethyl-19-(hydroxymethyl)-7-methyl-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
• 作为产物：
  描述：

  methyl 1,5-dioxo-1,2,3,5-tetrahydropyrrolo[1,2-b]isoquinoline-9-carboxylate 、 2-amino-5-methylpropiophenone 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 5.0h， 生成 Methyl 10-ethyl-7-methyl-14-oxo-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20),16,18-nonaene-19-carboxylate
  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.