4-异丙氧基-5-甲氧基-2-硝基苯甲酸甲酯 | 948553-02-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-异丙氧基-5-甲氧基-2-硝基苯甲酸甲酯
• 中文别名: 5-甲氧基-4-异丙氧基-2-硝基苯甲酸甲酯
• 英文名称: Methyl 4-isopropoxy-5-methoxy-2-nitrobenzoate
• 英文别名: methyl 5-methoxy-2-nitro-4-propan-2-yloxybenzoate
• CAS: 948553-02-4
• 化学式: C₁₂H₁₅NO₆
• 分子量: 269.254
• InChiKey: INHOMEHPASFBDO-UHFFFAOYSA-N

物化性质

• 沸点：
  397℃
• 密度：
  1.220
• 闪点：
  170℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-异丙氧基-5-甲氧基-2-硝基苯甲酸甲酯 在 三氯化铝 、 铁粉 、 氯化铵 、 三氯氧磷 作用下， 生成 4-氯-7-羟基-6-甲氧基喹啉-3-甲腈
  参考文献：
  名称：

  Inhibitors of Src tyrosine kinase: the preparation and structure–activity relationship of 4-anilino-3-cyanoquinolines and 4-anilinoquinazolines

  摘要：

  Src is a nonreceptor tyrosine kinase involved in signaling pathways that control proliferation, migration, and angiogenesis. Increased Src expression and activity are associated with an increase in tumor malignancy and poor prognosis. Several quinolines and quinazolines were identified as potent and selective inhibitors of Src kinase activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00493-5
• 作为产物：
  描述：

  香草酸甲酯 在 硝酸 作用下， 生成 4-异丙氧基-5-甲氧基-2-硝基苯甲酸甲酯
  参考文献：
  名称：

  Inhibitors of Src tyrosine kinase: the preparation and structure–activity relationship of 4-anilino-3-cyanoquinolines and 4-anilinoquinazolines

  摘要：

  Src is a nonreceptor tyrosine kinase involved in signaling pathways that control proliferation, migration, and angiogenesis. Increased Src expression and activity are associated with an increase in tumor malignancy and poor prognosis. Several quinolines and quinazolines were identified as potent and selective inhibitors of Src kinase activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00493-5

文献信息

• Inhibitors of Src tyrosine kinase: the preparation and structure–activity relationship of 4-anilino-3-cyanoquinolines and 4-anilinoquinazolines
  作者：Yanong D. Wang、Karen Miller、Diane H. Boschelli、Fei Ye、Biqi Wu、M.Brawner Floyd、Dennis W. Powell、Allan Wissner、Jennifer M. Weber、Frank Boschelli

  DOI：10.1016/s0960-894x(00)00493-5

  日期：2000.11

  Src is a nonreceptor tyrosine kinase involved in signaling pathways that control proliferation, migration, and angiogenesis. Increased Src expression and activity are associated with an increase in tumor malignancy and poor prognosis. Several quinolines and quinazolines were identified as potent and selective inhibitors of Src kinase activity. (C) 2000 Elsevier Science Ltd. All rights reserved.