4-(2-(苄基(甲基)氨基)乙氧基)苯酚 | 100238-34-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-(2-(苄基(甲基)氨基)乙氧基)苯酚
• 英文名称: 4-(2-(benzyl(methyl)amino)ethoxy)phenol
• 英文别名: 4-(2-(Benzyl(methyl)amino)ethoxy)phenol；4-[2-[benzyl(methyl)amino]ethoxy]phenol
• CAS: 100238-34-4
• 化学式: C₁₆H₁₉NO₂
• 分子量: 257.332
• InChiKey: UGKCHVCKCJODAD-UHFFFAOYSA-N

物化性质

• 沸点：
  402.7±30.0 °C(Predicted)
• 密度：
  1.122±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对苯二酚 在 N,N-二异丙基乙胺 、 potassium hydroxide 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 24.5h， 生成 4-(2-(苄基(甲基)氨基)乙氧基)苯酚
  参考文献：
  名称：

  ROS-Activated Compounds as Selective Anti-Cancer Therapeutics

  摘要：

  根据以下的公式I提供了化合物：公式I化合物在存在活性氧气体（ROS）的情况下被激活，因此对于与增加ROS相关的癌症是选择性的抗癌治疗药物。还提供了用于治疗与增加ROS相关的癌症的方法和药物组合物。

  公开号：

  US20130230542A1

文献信息

• ROS-activated compounds as selective anti-cancer therapeutics
  申请人：University of Cincinnati

  公开号：US09394233B2

  公开（公告）日：2016-07-19

  Provided are compounds according to the following Formula I: The Formula I compounds are activated in the presence of reactive oxygen species (ROS) and are therefore selective anti-cancer therapeutics for cancers associated with elevated ROS. Also provided are methods and pharmaceutical compositions for treating cancers associated with increased ROS.

  提供的化合物符合以下公式I：公式I化合物在反应性氧化物种（ROS）存在下被激活，因此是选择性的抗癌治疗药物，用于与增高ROS相关的癌症。同时提供了治疗与增加ROS相关的癌症的方法和制药组合物。
• Novel ROS-activated agents utilize a tethered amine to selectively target acute myeloid leukemia
  作者：Tiffany R. Bell-Horwath、Anish K. Vadukoot、Fathima Shazna Thowfeik、Guorui Li、Mark Wunderlich、James C. Mulloy、Edward J. Merino

  DOI：10.1016/j.bmcl.2013.03.048

  日期：2013.5

  This study explores the possible use of reactive oxygen-activated DNA modifying agents against acute myeloid leukemia (AML). A key amine on the lead agent was investigated via cytotoxicity assays and was found necessary for potency. The two best compounds were screened via the NCI-60 cell panel. These two compounds had potency between 200 and 800 nM against many of the leukemia cancer cell types. Subsequent experiments explored activity against a transformed AML model that mimics the molecular signatures identified in primary AML patient samples. A lead compound had an IC50 of 760 nM against this AML cell line as well as a therapeutic index of 7.7 +/- 3 between the transformed AML model cell line and non-cancerous human CD34+ blood stem/progenitor cells (UCB). The selectivity was much greater than the mainstays of AML treatment: doxorubicin and cytarabine. This manuscript demonstrates that this novel type of agent may be useful against AML. (C) 2013 Elsevier Ltd. All rights reserved.
• ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS
  申请人：University Of Cincinnati

  公开号：EP2819993A1

  公开（公告）日：2015-01-07
• US9394233B2
  申请人：——

  公开号：US9394233B2

  公开（公告）日：2016-07-19
• [EN] ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS<br/>[FR] COMPOSÉS ACTIVÉS PAR DRO EN TANT QUE THÉRAPIES ANTI-CANCER SÉLECTIVES
  申请人：UNIV CINCINNATI

  公开号：WO2013130968A1

  公开（公告）日：2013-09-06

  Provided are compounds according to the following Formula (I). The Formula (I) compounds are activated in the presence of reactive oxygen species (ROS) and are therefore selective anti-cancer therapeutics for cancers associated with elevated ROS. Also provided are methods and pharmaceutical compositions for treating cancers associated with increased ROS.