(6R)-12-benzyl-6-(methoxymethyl)-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4(12H)-one | 1360734-89-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (6R)-12-benzyl-6-(methoxymethyl)-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4(12H)-one
• 英文别名: (6R,12bS)-12-benzyl-6-(methoxymethyl)-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one
• CAS: 1360734-89-9
• 化学式: C₂₄H₂₆N₂O₂
• 分子量: 374.483
• InChiKey: OBHFTCLIRLAKKN-GCJKJVERSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (6R)-12-benzyl-6-(methoxymethyl)-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4(12H)-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (6R,12bS)-12-benzyl-6-(methoxymethyl)-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
  参考文献：
  名称：

  Synthesis and evaluation of a novel series of indoloisoquinolines as small molecule anti-malarial leads

  摘要：

  A group of novel synthetic indoloisoquinolines was prepared and its potential as a novel series of smallmolecule anti-malarial leads was assessed. The structure-activity relationship on variation of three distinct regions of chemical space was investigated. A lead compound was generated with an activity close to that observed for a known anti-malarial natural product, dihydrousambarensine, that shares the indoloisoquinoline template structure. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.071
• 作为产物：
  描述：

  (6R,12bS)-1,2,3,6,7,12b-hexahydro-6-(hydroxymethyl)indolo[2,3-a]quinolizin-4(12H)-one 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 49.0h， 生成 (6R)-12-benzyl-6-(methoxymethyl)-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4(12H)-one
  参考文献：
  名称：

  Synthesis and evaluation of a novel series of indoloisoquinolines as small molecule anti-malarial leads

  摘要：

  A group of novel synthetic indoloisoquinolines was prepared and its potential as a novel series of smallmolecule anti-malarial leads was assessed. The structure-activity relationship on variation of three distinct regions of chemical space was investigated. A lead compound was generated with an activity close to that observed for a known anti-malarial natural product, dihydrousambarensine, that shares the indoloisoquinoline template structure. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.071