N-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: N-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetamide
• 英文别名: N-[3-(2,5-dioxopyrrol-1-yl)phenyl]acetamide
• 化学式: C₁₂H₁₀N₂O₃
• mdl: MFCD02223124
• 分子量: 230.223
• InChiKey: UYCLQMPQVKMMJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  66.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetamide 、 3-(3,4-dichlorophenyl)-spiro (oxirane-2,2'-indan)-1',3'-dione 以 甲苯 为溶剂， 生成 、
  参考文献：
  名称：

  Optimization and determination of the absolute configuration of a series of potent inhibitors of human papillomavirus type-11 E1–E2 protein–protein interaction: A combined medicinal chemistry, NMR and computational chemistry approach

  摘要：

  We have previously reported the discovery and initial SAR optimization of the first series of inhibitors of the human papillomavirus type-11 (HPV11) E1-E2 protein-protein interaction. These inhibitors featured an indandione system spiro-fused onto an all syn substituted tetrahydrofuran ring. In this paper, we report new SAR efforts which have led to the identification of the first low nanomolar inhibitor of the HPV11 E1-E2 protein-protein interaction. In addition, we report a combined NMR and computational chemistry approach which allowed the successful determination of the absolute stereochernistry of the active species originating from the initial racemic lead. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.01.036

文献信息

• METHODS FOR INHIBITION OF CELL PROLIFERATION, SYNERGISTIC TRANSCRIPTION MODULES AND USES THEREOF
  申请人：Iavarone Antonio

  公开号：US20130156795A1

  公开（公告）日：2013-06-20

  The invention provides for methods for treating nervous system cancers in a subject. The invention further provides methods for treating nervous system tumor cell invasion, migration, proliferation, and angiogenesis associated with nervous system tumors.