4-Chloro-7-morpholin-4-yl-2-thiophen-2-yl-quinazoline | 870137-26-1

• 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-Chloro-7-morpholin-4-yl-2-thiophen-2-yl-quinazoline
• CAS: 870137-26-1
• 化学式: C₁₆H₁₄ClN₃OS
• 分子量: 331.826
• InChiKey: OEESHTDPJNRBIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38.25
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-Chloro-7-morpholin-4-yl-2-thiophen-2-yl-quinazoline 在 肼 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 13.0h， 生成 3-Methyl-1-(7-morpholin-4-yl-2-thiophen-2-yl-quinazolin-4-ylamino)-pyrrole-2,5-dione
  参考文献：
  名称：

  The design and synthesis of novel orally active inhibitors of AP-1 and NF-κB mediated transcriptional activation. SAR of In vitro and In vivo studies

  摘要：

  We have developed novel orally active quinazoline analogues as inhibitors of AP-1 and NF-kappaB mediated transcriptional activation. Among the derivatives prepared, 1-[2-(2-thienyl)quinazolin-4-ylamino]-3-methyl-3-pyrroline-2,5-dione (10) showed significant activity in an adjuvant-induced arthritis rat model by reducing the swelling by 65% in the non-injected foot. The synthesis, structure-activity relationship, and in vivo activity are described. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.047
• 作为产物：
  描述：

  7-Morpholin-4-yl-2-thiophen-2-yl-3H-quinazolin-4-one 在 三氯氧磷 作用下， 反应 3.0h， 生成 4-Chloro-7-morpholin-4-yl-2-thiophen-2-yl-quinazoline
  参考文献：
  名称：

  The design and synthesis of novel orally active inhibitors of AP-1 and NF-κB mediated transcriptional activation. SAR of In vitro and In vivo studies

  摘要：

  We have developed novel orally active quinazoline analogues as inhibitors of AP-1 and NF-kappaB mediated transcriptional activation. Among the derivatives prepared, 1-[2-(2-thienyl)quinazolin-4-ylamino]-3-methyl-3-pyrroline-2,5-dione (10) showed significant activity in an adjuvant-induced arthritis rat model by reducing the swelling by 65% in the non-injected foot. The synthesis, structure-activity relationship, and in vivo activity are described. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.047