3-methoxy-2-(3-chloropropoxy)-quinazolino[3,4-a]thieno[3,2-d]pyrimidin-8-one | 1204579-78-1

• 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: 3-methoxy-2-(3-chloropropoxy)-quinazolino[3,4-a]thieno[3,2-d]pyrimidin-8-one
• 英文别名: 4-(3-Chloropropoxy)-5-methoxy-13-thia-8,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),14-heptaen-11-one
• CAS: 1204579-78-1
• 化学式: C₁₇H₁₄ClN₃O₃S
• 分子量: 375.835
• InChiKey: BIRKDDALDLNNFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  91.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-methoxy-2-(3-chloropropoxy)-quinazolino[3,4-a]thieno[3,2-d]pyrimidin-8-one 、 二乙胺 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 2-methoxy-3-(3-(diethylamino) propoxy)-quinazolino[3,4-a]thieno[3,2-d]pyrimidin-8-one
  参考文献：
  名称：

  Design, Synthesis, Docking and Antitumor Activity of Quinazolino [3, 4-a] thieno [3, 2-d] pyrimidin-8-one Derivatives

  摘要：

  Several novel quinazolino [3, 4‐a] thieno [3, 2‐d] pyrimidin‐8‐one derivatives were synthesized. All of the compounds were determined against MiaPaCa2 and DU145 cells in vitro, and the crystal structures of analog 8 and 20 in the active site of the EGFR complexes were presented. The entire compounds had been identified by 1HNMR, 13CNMR, IR, MS and EA.

  DOI：

  10.1111/j.1747-0285.2010.01008.x
• 作为产物：
  描述：

  4-氯-6-(3-氯丙氧基)-7-甲氧基喹唑啉 、 3-氨基-2-噻吩甲酸甲酯 在 三乙胺 作用下， 以 异丙醇 为溶剂， 反应 2.0h， 生成 3-methoxy-2-(3-chloropropoxy)-quinazolino[3,4-a]thieno[3,2-d]pyrimidin-8-one
  参考文献：
  名称：

  Design, Synthesis, Docking and Antitumor Activity of Quinazolino [3, 4-a] thieno [3, 2-d] pyrimidin-8-one Derivatives

  摘要：

  Several novel quinazolino [3, 4‐a] thieno [3, 2‐d] pyrimidin‐8‐one derivatives were synthesized. All of the compounds were determined against MiaPaCa2 and DU145 cells in vitro, and the crystal structures of analog 8 and 20 in the active site of the EGFR complexes were presented. The entire compounds had been identified by 1HNMR, 13CNMR, IR, MS and EA.

  DOI：

  10.1111/j.1747-0285.2010.01008.x