4-(2-(6-Bromoquinazolin-4-ylamino)ethyl)phenol | 1135238-69-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(2-(6-Bromoquinazolin-4-ylamino)ethyl)phenol
• 英文别名: 4-[2-[(6-bromoquinazolin-4-yl)amino]ethyl]phenol
• CAS: 1135238-69-5
• 化学式: C₁₆H₁₄BrN₃O
• 分子量: 344.211
• InChiKey: HGCXNYAPLNBFOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  58
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对羟基苯乙胺 、 6-溴-4-氯喹唑啉 在 吡啶 作用下， 以 乙醇 为溶剂， 生成 4-(2-(6-Bromoquinazolin-4-ylamino)ethyl)phenol
  参考文献：
  名称：

  Potent inhibitors of Huntingtin protein aggregation in a cell-based assay

  摘要：

  A quinazoline that decreases polyglutamine aggregate burden in a cell-based assay was identified from a high-throughput screen of a chemical-compound library, provided by the NIH Molecular Libraries Small Molecule Repository (MLSMR). A structure and activity study yielded leads with submicromolar potency. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.087

文献信息

• Potent inhibitors of Huntingtin protein aggregation in a cell-based assay
  作者：Alison Rinderspacher、Maria Laura Cremona、Yidong Liu、Shi-Xian Deng、Yuli Xie、Gangli Gong、Nathalie Aulner、Udo Többen、Katherine Myers、Caty Chung、Monique Andersen、Dušica Vidović、Stephan Schürer、Lars Brandén、Ai Yamamoto、Donald W. Landry

  DOI：10.1016/j.bmcl.2009.01.087

  日期：2009.3

  A quinazoline that decreases polyglutamine aggregate burden in a cell-based assay was identified from a high-throughput screen of a chemical-compound library, provided by the NIH Molecular Libraries Small Molecule Repository (MLSMR). A structure and activity study yielded leads with submicromolar potency. (C) 2009 Elsevier Ltd. All rights reserved.