methyl 9,10-dihydro-4-iodoacridine-4-carboxylate | 1070307-91-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: methyl 9,10-dihydro-4-iodoacridine-4-carboxylate
• CAS: 1070307-91-3
• 化学式: C₁₅H₁₂INO₂
• 分子量: 365.17
• InChiKey: LFBLFKHPGWBNSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.73
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl 9,10-dihydro-4-iodoacridine-4-carboxylate 在 三氯化铁 作用下， 以 乙醇 、 水 为溶剂， 反应 0.5h， 以88%的产率得到methyl 3-iodoacridine-4-carboxylate
  参考文献：
  名称：

  Design, synthesis and preliminary biological evaluation of acridine compounds as potential agents for a combined targeted chemo-radionuclide therapy approach to melanoma

  摘要：

  Various iodo-acridone and acridine carboxamides have been prepared and evaluated as agents for targeted radionuclide and/or chemotherapy for melanoma, due to their structural similarity to benzamides which are known to possess specific affinity for melanin. Three of these carboxamides selected for their in vitro cytotoxic properties were radioiodinated with [I-125] NaI at high specific activity. Biodistribution studies carried out in B16F0 murine melanoma tumour-bearing mice highlighted that acridone 8f and acridine 9d, presented high, long-lasting tumour concentrations together with an in vivo kinetic pro. le favourable to application in targeted radionuclide therapy. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.07.015
• 作为产物：
  描述：

  methyl 9,10-dihydro-3-iodo-9-oxoacridine-4-carboxylate 在 三氟化硼四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 反应 45.0h， 以78%的产率得到methyl 9,10-dihydro-4-iodoacridine-4-carboxylate
  参考文献：
  名称：

  Design, synthesis and preliminary biological evaluation of acridine compounds as potential agents for a combined targeted chemo-radionuclide therapy approach to melanoma

  摘要：

  Various iodo-acridone and acridine carboxamides have been prepared and evaluated as agents for targeted radionuclide and/or chemotherapy for melanoma, due to their structural similarity to benzamides which are known to possess specific affinity for melanin. Three of these carboxamides selected for their in vitro cytotoxic properties were radioiodinated with [I-125] NaI at high specific activity. Biodistribution studies carried out in B16F0 murine melanoma tumour-bearing mice highlighted that acridone 8f and acridine 9d, presented high, long-lasting tumour concentrations together with an in vivo kinetic pro. le favourable to application in targeted radionuclide therapy. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.07.015