4-(3-(biphenyl-4-yloxy)-2-hydroxypropylthio)phenol | 127038-44-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(3-(biphenyl-4-yloxy)-2-hydroxypropylthio)phenol
• 英文别名: 4-[2-Hydroxy-3-(4-phenylphenoxy)propyl]sulfanylphenol
• CAS: 127038-44-2
• 化学式: C₂₁H₂₀O₃S
• 分子量: 352.454
• InChiKey: UEWHUWAZJKSLFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  75
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对羟基联苯 在 tetrapropylammonium iodide 、 水 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 4-(3-(biphenyl-4-yloxy)-2-hydroxypropylthio)phenol
  参考文献：
  名称：

  Synthesis and structure–activity relationship studies of 1,3-disubstituted 2-propanols as BACE-1 inhibitors

  摘要：

  A library of 1,3-disubstituted 2-propanols was synthesized and evaluated as low molecular weight probes for beta-secretase inhibition. By screening a library of 121 1,3-disubstituted 2-propanol derivatives, we identified few compounds inhibiting the enzyme at low micromolar concentrations. The initial hits were optimized to yield a potent BACE-1 inhibitor exhibiting an IC50 constant in the nanomolar range. Exploration of the pharmacological properties revealed that these small molecular inhibitors possessed a high selectivity over cathepsin D and desirable physicochemical properties beneficial to cross the blood-brain barrier. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.072

文献信息

• Recording material
  申请人：KAO CORPORATION

  公开号：EP0338587A2

  公开（公告）日：1989-10-25

  Disclosed is a recording material employing an electron donating colorless dye and an electron accepting compound, an improvement being present in that said electron accepting compound is a compound represented by the formula; wherein Ar represents a phenyl group, a substituted phenyl group, a benzyl group, a substituted benzyl group, a naphthyl group or a substututed naphthyl group Y represents a halogen atom, a nitrile group, a nitro group or an alkyl group having 1 to 4 carbon atoms, and m is an integer of 0 to 2.

  本发明公开了一种采用电子供体无色染料和电子受体化合物的记录材料，其改进之处在于所述电子受体化合物是由式表示的化合物； 其中 Ar 代表苯基、取代苯基、苄基、取代苄基、萘基或取代萘基 Y 代表卤素原子、腈基、硝基或具有 1 至 4 个碳原子的烷基，m 为 0 至 2 的整数。
• US5071822A
  申请人：——

  公开号：US5071822A

  公开（公告）日：1991-12-10
• Synthesis and structure–activity relationship studies of 1,3-disubstituted 2-propanols as BACE-1 inhibitors
  作者：Arun Babu Kumar、Jordan Micheal Anderson、Anthony Lester Melendez、Roman Manetsch

  DOI：10.1016/j.bmcl.2012.05.072

  日期：2012.7

  A library of 1,3-disubstituted 2-propanols was synthesized and evaluated as low molecular weight probes for beta-secretase inhibition. By screening a library of 121 1,3-disubstituted 2-propanol derivatives, we identified few compounds inhibiting the enzyme at low micromolar concentrations. The initial hits were optimized to yield a potent BACE-1 inhibitor exhibiting an IC50 constant in the nanomolar range. Exploration of the pharmacological properties revealed that these small molecular inhibitors possessed a high selectivity over cathepsin D and desirable physicochemical properties beneficial to cross the blood-brain barrier. (C) 2012 Elsevier Ltd. All rights reserved.