4-dimethylaminopyridinio-acetophenone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-dimethylaminopyridinio-acetophenone
• 英文别名: 2-[4-(Dimethylamino)pyridin-1-ium-1-yl]-1-phenylethanone
• 化学式: C₁₅H₁₇N₂O
• 分子量: 241.313
• InChiKey: IOCMJYSYRZVNMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  24.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-dimethylaminopyridinio-acetophenone 以 水 为溶剂， 生成 enol of 4-dimethylaminopyridinio-acetophenone
  参考文献：
  名称：

  α-吡啶基和吡啶基乙酰苯的烯醇含量

  摘要：

  苯，吡啶基和吡啶基取代基对苯乙酮的酮-烯醇互变异构和烯醇离子化平衡的影响比较表明，键杂合的极性效应和与“中性”双键的共振相互作用对烯醇稳定性具有重要影响。

  DOI：

  10.1039/c39880001097
• 作为产物：
  描述：

  enol of 4-dimethylaminopyridinio-acetophenone 以 水 为溶剂， 生成 4-dimethylaminopyridinio-acetophenone
  参考文献：
  名称：

  α-吡啶基和吡啶基乙酰苯的烯醇含量

  摘要：

  苯，吡啶基和吡啶基取代基对苯乙酮的酮-烯醇互变异构和烯醇离子化平衡的影响比较表明，键杂合的极性效应和与“中性”双键的共振相互作用对烯醇稳定性具有重要影响。

  DOI：

  10.1039/c39880001097

文献信息

• METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER
  申请人：Ramirez De Molina Ana

  公开号：US20100068302A1

  公开（公告）日：2010-03-18

  The invention relates to compositions comprising an acid ceramidase inhibitor and a choline kinase inhibitor as well as to the uses thereof for the treatment of cancer. The invention also relates to methods for the selection of an individualised therapy of a cancer patient based on the detection of the acid ceramidase levels. Moreover, the invention also relates to compositions comprising a choline kinase inhibitor and an alkylating agent and uses thereof for the treatment of cancer. Finally, the invention also relates to compositions comprising a choline kinase inhibitor and an alkylating agent or a death receptor ligand and uses thereof for the treatment of cancer.
• METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER
  申请人：Lacal Sanjuan Juan Carlos

  公开号：US20110250179A1

  公开（公告）日：2011-10-13

  The present invention relates to methods for the treatment of cancer based on the induction of the choline kinase beta (hereinafter ChoKβ) activity as well as to methods for the design of personalized therapies and for determining the response of an agent capable of inducing choline kinase beta (hereinafter ChoKβ) for the treatment of cancer as well as to methods for determining the prognosis of a patient based on the determination of the ChoKβ expression levels as well as based on the determination of the relationship between the ChoKβ and ChoKα expression levels. Finally, the invention relates to methods for determining the response of a patient who suffers from cancer to ChoKα-inhibiting agents based on the determination of the PEMT and/or ChoKβ expression levels.
• METHOD FOR PREDICTING THE CLINICAL RESPONSE TO CHEMOTHERAPY IN A SUBJECT WITH CANCER
  申请人：Lacal SanJuan Juan Carlos

  公开号：US20150004252A1

  公开（公告）日：2015-01-01

  The invention relates to the use of choline kinase alpha as predictive marker for the determination of the response to a chemotherapeutic treatment in a subject suffering from cancer, particularly for predicting the clinical response of a subject suffering from non-small cell lung cancer to a platinum-based chemotherapeutic treatment. The invention relates to methods for designing a personalised therapy for subjects suffering from cancer, particularly from non-small cell lung cancer, based on the expression levels of choline kinase alpha as well as to methods for the treatment of non-small cell lung cancer using a platinum-based chemotherapeutic treatment based in a subject wherein the subject is selected based on the expression levels of choline kinase alpha.