| 1259374-72-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• CAS: 1259374-72-5
• 化学式: C₁₇H₁₅BrClNO₂
• 分子量: 380.669
• InChiKey: HAJKJOIPAGFWIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.65
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  37.38
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 potassium selenocyanate 以 丙酮 为溶剂， 反应 48.0h， 以65%的产率得到2-(5-selenocyanatopentyl)-6-chlorobenzo[de]isoquinoline-1,3-dione
  参考文献：
  名称：

  Naphthalimide based novel organoselenocyanates: Finding less toxic forms of selenium that would retain protective efficacy

  摘要：

  A series of naphthalimide based organoselenocyanates were synthesized and screened for their toxicity as well as their ability to modulate several detoxifying/antioxidative enzyme levels at a primary screening dose of 3 mg/kg b.w. in normal Swiss albino mice for 30 days. Compound 4d showed highest activity in elevating the detoxifying/antioxidant enzymes levels. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.127
• 作为产物：
  描述：

  N-(pentan-5-ol)-4-chloro-1,8-naphthalimide 在 三溴化磷 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 以74%的产率得到
  参考文献：
  名称：

  Naphthalimide based novel organoselenocyanates: Finding less toxic forms of selenium that would retain protective efficacy

  摘要：

  A series of naphthalimide based organoselenocyanates were synthesized and screened for their toxicity as well as their ability to modulate several detoxifying/antioxidative enzyme levels at a primary screening dose of 3 mg/kg b.w. in normal Swiss albino mice for 30 days. Compound 4d showed highest activity in elevating the detoxifying/antioxidant enzymes levels. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.127