12-Benzylindolo[2,3-a]3-pyrrolino[3,4-c]carbazole-5,7-dione

• 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: 12-Benzylindolo[2,3-a]3-pyrrolino[3,4-c]carbazole-5,7-dione
• 英文别名: 3-benzyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
• 化学式: C₂₇H₁₇N₃O₂
• 分子量: 415.451
• InChiKey: DOURQCHMQTYFRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  12,13-二氢-5H-吲哚并[2,3-a]吡咯并[3,4-C]咔唑-5,7(6H)-二酮 在 盐酸 、 sodium hydride 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 12-Benzylindolo[2,3-a]3-pyrrolino[3,4-c]carbazole-5,7-dione
  参考文献：
  名称：

  Synthesis of N-Alkyl Substituted Indolocarbazoles as Potent Inhibitors of Human Cytomegalovirus Replication

  摘要：

  The synthesis and antiviral evaluation of unsymmetrical indolocarbazole derivatives of Arcyriaflavin A, substituted with a range of alkyl groups at the indole nitrogen, is described. Structure-activity relationships in this series against human cytomegalovirus (HCMV) replication in cell culture are reported. Compound 4b was identified as potent inhibitor of HCMV (IC50 = 19 nM), which retained activity against a range of HCMV strains including ganciclovir resistant isolates. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00352-3

文献信息

• Synthesis of N-Alkyl Substituted Indolocarbazoles as Potent Inhibitors of Human Cytomegalovirus Replication
  作者：Martin J Slater、Robert Baxter、Robert W Bonser、Stuart Cockerill、Kam Gohil、Nigel Parry、Ed Robinson、Roger Randall、Clive Yeates、Wendy Snowden、Adeline Walters

  DOI：10.1016/s0960-894x(01)00352-3

  日期：2001.8

  The synthesis and antiviral evaluation of unsymmetrical indolocarbazole derivatives of Arcyriaflavin A, substituted with a range of alkyl groups at the indole nitrogen, is described. Structure-activity relationships in this series against human cytomegalovirus (HCMV) replication in cell culture are reported. Compound 4b was identified as potent inhibitor of HCMV (IC50 = 19 nM), which retained activity against a range of HCMV strains including ganciclovir resistant isolates. (C) 2001 Elsevier Science Ltd. All rights reserved.