methyl 1-methyl4-<1-methyl-4-(2-<7,10,12-trimethyl-6H-<1,3>oxazolo<5,4-c>pyrido<3,4-g>carbazole>)butylcarboxamido>pyrrole-2-carboxylate acetate | 136364-42-6

• 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: methyl 1-methyl4-<1-methyl-4-(2-<7,10,12-trimethyl-6H-<1,3>oxazolo<5,4-c>pyrido<3,4-g>carbazole>)butylcarboxamido>pyrrole-2-carboxylate acetate
• CAS: 136364-42-6
• 化学式: C₂H₃O₂*C₃₇H₃₈N₇O₅
• 分子量: 719.797
• InChiKey: ZEZYXBCVINMRPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.88
• 重原子数：
  53.0
• 可旋转键数：
  9.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  180.19
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  依利醋铵 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 反应 34.0h， 生成 methyl 1-methyl4-<1-methyl-4-(2-<7,10,12-trimethyl-6H-<1,3>oxazolo<5,4-c>pyrido<3,4-g>carbazole>)butylcarboxamido>pyrrole-2-carboxylate acetate
  参考文献：
  名称：

  Synthesis, DNA binding and biological activity of oxazolopyridocarbazole-netropsin hybrid molecules

  摘要：

  A series of bifunctional molecules have been synthesized which result from the combination of a DNA sequence-specific ligand (netropsin) coupled to an intercalator moiety (OPC). The binding constants to double-stranded polynucleotides as well as the cytostatic activity against both murine and human tumor cell lines and the in vitro activity against a range of DNA and RNA viruses (including human immunodeficiency virus) have been determined for these novel molecules. All of them retain the DNA binding affinity of netropsin but with a notable decrease of A-T sequence selectivity. They did not show in vitro antiviral activity. On the other hand, these compounds demonstrated enhanced cytostatic activity against both human and murine tumor cell lines.

  DOI：

  10.1016/0223-5234(91)90143-b