4-(5-溴戊氧基)苯酚 | 105589-39-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-(5-溴戊氧基)苯酚
• 英文名称: 4-(5-bromopentyloxy)phenol
• 英文别名: 4-(5-bromopentoxy)phenol
• CAS: 105589-39-7
• 化学式: C₁₁H₁₅BrO₂
• 分子量: 259.143
• InChiKey: FZTXXXSPAVACJO-UHFFFAOYSA-N

物化性质

• 沸点：
  372.7±22.0 °C(Predicted)
• 密度：
  1.356±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(5-溴戊氧基)苯酚 、 N-乙基苯胺 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以12%的产率得到4-((5-(ethyl(phenyl)amino)pentyl)oxy)phenol
  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
• 作为产物：
  描述：

  1,5-二溴戊烷 、 对苯二酚 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以20%的产率得到4-(5-溴戊氧基)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。
• Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0194047A1

  公开（公告）日：1986-09-10

  A dihydropyridine of the formula: wherein R1 and R2 each is alkyl or alkoxyalkyl, wherein R3 and R4, each is alkyl, wherein R5 is alpha-branched-chain alkyl, alkoxyalkyl, arylalkyl or aryloxyalkyl, or acylaminoalkyl, wherein benzene ring A bears one or more substituents selected from halogeno, cyano, nitro, trifluoromethyl and alkyl, or bears the substituent =N-0-N= attached to the 5- and 6-positions; wherein Ar is phenylene, naphthylene, tetrahydronaphthylene, indanylene or pyridylene which is unsubstituted or which bears one or more substituents, wherein p is 0 or 1; wherein X is -0- or -S-; wherein X1 is a direct link or is -0-, -S-, -NH- or -NHS02-; and wherein Y is straight- or branched-chain alkylene which may optionally be interrupted by one or two groups selected from oxygen, sulphur, imino, substituted imino, phenylene, substituted phenylene, pyridylene, cycloalkylene, 1,4-piperazinediyl, 1,4-piperidinediyl and amido groups; or an acid-addition salt thereof, process for their manufacture and pharmaceutical compositions containing them. The compound possess either beta-adrenergic blocking or calcium ion slow channel blocking properties, or both such properties, and may be used in the treatment of hypertension.

  一种二氢吡啶，其式如下 其中R1和R2各自为烷基或烷氧基烷基，其中R3和R4各自为烷基，其中R5为α-支链烷基、烷氧基烷基、芳基烷基或芳氧基烷基或酰氨基烷基，其中苯环A带有一个或多个选自卤代、氰基、硝基、三氟甲基和烷基的取代基，或带有连接到5位和6位的取代基=N-0-N=；其中 Ar 是未被取代的苯基、萘基、四氢萘基、茚基或吡啶基，或带有一个或多个取代基，其中 p 是 0 或 1；其中 X 为-0-或-S-；其中 X1 为直接连接或为-0-、-S-、-NH-或-NHS02-；其中 Y 为直链或支链亚烷基，可任选被一个或两个选自氧、硫、亚氨基、取代亚氨基、亚苯基、取代亚苯基、吡啶基、环烷基、1,4-哌嗪二基、1,4-哌啶二基和氨基的基团打断；或其酸加成盐，以及它们的制造工艺和含有它们的药物组合物。这些化合物具有β-肾上腺素能阻断特性或钙离子慢通道阻断特性，或同时具有这两种特性，可用于治疗高血压。
• 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