5-(4-chlorophenyl)-4-[4-(4-chlorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5-(4-chlorophenyl)-4-[4-(4-chlorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
• 英文别名: 5-(4-Chlorophenyl)-4-[4-(4-chlorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
• 化学式: C₂₂H₁₈Cl₂N₄S
• 分子量: 441.384
• InChiKey: BGYYDGNNDGMVDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  60.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[1-(4-氯苯基)亚乙基]丙二腈 在 氯化亚砜 、 碳酸氢钠 、 sulfur 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 反应 12.0h， 生成 5-(4-chlorophenyl)-4-[4-(4-chlorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
  参考文献：
  名称：

  Synthesis and evaluation of 4-anilinoquinazoline bioisosteres as potential anti-breast cancer agents

  摘要：

  Based on one of the four major categories of scaffold hopping theory namely hetrocycle replacements, a series of 5-arylthieno[2,3-d]pyrimidines had been prepared and evaluated as anti-breast cancer agents. Optimization by combination of different pharmacophores with the thienopyrimidine scaffold led to discovery of biologically active compounds. (c) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.08.056

文献信息

• Synthesis and evaluation of 4-anilinoquinazoline bioisosteres as potential anti-breast cancer agents
  作者：Afaf K. El-Ansary、Aliaa M. Kamal、Mokhtar AbdHafiz Al-Ghorafi

  DOI：10.1016/j.ejmech.2014.08.056

  日期：2014.10

  Based on one of the four major categories of scaffold hopping theory namely hetrocycle replacements, a series of 5-arylthieno[2,3-d]pyrimidines had been prepared and evaluated as anti-breast cancer agents. Optimization by combination of different pharmacophores with the thienopyrimidine scaffold led to discovery of biologically active compounds. (c) 2014 Elsevier Masson SAS. All rights reserved.