1-(8-chloro-5-methoxy-2-(thiophen-2-yl)quinazolin-4-ylamino)-3-methyl-1H-pyrrole-2,5-dione | 1132696-88-8

• 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: 1-(8-chloro-5-methoxy-2-(thiophen-2-yl)quinazolin-4-ylamino)-3-methyl-1H-pyrrole-2,5-dione
• 英文别名: 1-[(8-chloro-5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrole-2,5-dione
• CAS: 1132696-88-8
• 化学式: C₁₈H₁₃ClN₄O₃S
• 分子量: 400.845
• InChiKey: FAZJTQVDAJDGAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  柠康酸酐 、 以 氯仿 为溶剂， 生成 1-(8-chloro-5-methoxy-2-(thiophen-2-yl)quinazolin-4-ylamino)-3-methyl-1H-pyrrole-2,5-dione
  参考文献：
  名称：

  Discovery of novel small molecule cell type-specific enhancers of NF-κB nuclear translocation

  摘要：

  An IKK beta inhibitor reported to block NF-kappa B transcriptional activities in Jurkat T cells, was found to enhance NF-kappa B translocation in HUVEC cells. These studies suggested a noncanonical NF-kappa B signaling pathway independent of IKK beta in HUVEC cells. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.12.086

文献信息

• Discovery of novel small molecule cell type-specific enhancers of NF-κB nuclear translocation
  作者：Gangli Gong、Yuli Xie、Yidong Liu、Alison Rinderspacher、Shi-Xian Deng、Yan Feng、Zhengxiang Zhu、Yufei Tang、Michael Wyler、Nathalie Aulner、Udo Toebben、Deborah H. Smith、Lars Branden、Caty Chung、Stephan Schürer、Dušica Vidović、Donald W. Landry

  DOI：10.1016/j.bmcl.2008.12.086

  日期：2009.2

  An IKK beta inhibitor reported to block NF-kappa B transcriptional activities in Jurkat T cells, was found to enhance NF-kappa B translocation in HUVEC cells. These studies suggested a noncanonical NF-kappa B signaling pathway independent of IKK beta in HUVEC cells. (C) 2009 Published by Elsevier Ltd.