3-Ethoxycarbonyl-1-(2-hydroxyethoxy)methyl-2-methyl-4-nitro-5-phenylpyrrole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-Ethoxycarbonyl-1-(2-hydroxyethoxy)methyl-2-methyl-4-nitro-5-phenylpyrrole
• 英文别名: Ethyl 1-(2-hydroxyethoxymethyl)-2-methyl-4-nitro-5-phenyl-pyrrole-3-carboxylate；ethyl 1-(2-hydroxyethoxymethyl)-2-methyl-4-nitro-5-phenylpyrrole-3-carboxylate
• 化学式: C₁₇H₂₀N₂O₆
• 分子量: 348.356
• InChiKey: OXQJUFMAAVCNSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-methyl-4-nitro-5-phenyl-pyrrole-3-carboxylic acid ethyl ester 在 sodium methylate 、 sodium hydride 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 2.0h， 生成 3-Ethoxycarbonyl-1-(2-hydroxyethoxy)methyl-2-methyl-4-nitro-5-phenylpyrrole
  参考文献：
  名称：

  Glycosidopyrroles Part 1. Acyclic derivatives: 1-(2-hydroxyethoxy) methylpyrroles as potential anti-viral agents

  摘要：

  Acyclic glycosidopyrroles of type 1, synthesized in good overall yields, were evaluated for anti-viral activity. Compound 10i was found to inhibit the HIV-1 replication at concentrations that were very close to those cytotoxic for MT-4 cells. Compounds 10a,f,i inhibited both strains HSV-1 and HSV-2 at concentrations slightly below those cytotoxic for Vero cells. However for this series of glycosidopyrroles some relationship between calculated log P values and the observed cytotoxicity was found. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0014-827x(97)00002-5

文献信息

• Glycosidopyrroles Part 1. Acyclic derivatives: 1-(2-hydroxyethoxy) methylpyrroles as potential anti-viral agents
  作者：Anna Maria Almerico、Patrizia Diana、Paola Barraja、Gaetano Dattolo、Francesco Mingoia、Anna Giulia Loi、Franca Scintu、Carlo Milia、Ivana Puddu、Paolo La Colla

  DOI：10.1016/s0014-827x(97)00002-5

  日期：1998.1

  Acyclic glycosidopyrroles of type 1, synthesized in good overall yields, were evaluated for anti-viral activity. Compound 10i was found to inhibit the HIV-1 replication at concentrations that were very close to those cytotoxic for MT-4 cells. Compounds 10a,f,i inhibited both strains HSV-1 and HSV-2 at concentrations slightly below those cytotoxic for Vero cells. However for this series of glycosidopyrroles some relationship between calculated log P values and the observed cytotoxicity was found. (C) 1998 Elsevier Science S.A.