β-(1-Methyl-4-<1-methyl-4-(1-methyl-4-nitropyrryl-(2)-carbonylamino)-pyrryl-(2)-carbonylamino>-pyrryl-(2)-carbonylamino)-propionamidin | 2573-48-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: β-(1-Methyl-4-<1-methyl-4-(1-methyl-4-nitropyrryl-(2)-carbonylamino)-pyrryl-(2)-carbonylamino>-pyrryl-(2)-carbonylamino)-propionamidin
• 英文别名: β-{1-Methyl-4-[1-methyl-4-(1-methyl-4-nitropyrryl-(2)-carbonylamino)-pyrryl-(2)-carbonylamino]-pyrryl-(2)-carbonylamino}-propionamidin；N-(3-amino-3-imino-propyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide；N-(3-amino-3-iminopropyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide
• CAS: 2573-48-0
• 化学式: C₂₁H₂₅N₉O₅
• 分子量: 483.487
• InChiKey: XYQGYGFXXBFQKC-UHFFFAOYSA-N

物化性质

• 熔点：
  199-207 °C
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  198
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  β-(1-Methyl-4-<1-methyl-4-(1-methyl-4-nitropyrryl-(2)-carbonylamino)-pyrryl-(2)-carbonylamino>-pyrryl-(2)-carbonylamino)-propionamidin 在 钯 氢气 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 N,N'-Bis-(5-{5-[5-(2-carbamimidoyl-ethylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-1-methyl-1H-pyrrol-3-ylcarbamoyl}-1-methyl-1H-pyrrol-3-yl)-succinamide; hydrochloride
  参考文献：
  名称：

  Anti-HIV-I activity of linked lexitropsins

  摘要：

  Five groups of lexitropsin oligopeptides have been synthesized that are structurally related to the natural antiviral agents netropsin and distamycin and bearing two such moieties joined by flexible or rigid linkers. Inhibitory activity of these types of agents against murine leukemia retrovirus (MuLV) led to an evaluation of their inhibition of HIV-I in cell culture. The antiretroviral activity of the five different classes of lexitropsins is discussed in terms of their structural differences.

  DOI：

  10.1021/jm00093a023