聚硫橡胶 | 63148-67-4

• 物质功能分类: 催化剂及助剂
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: 聚硫橡胶
• 英文名称: 1-[2-(2-Hydroxy-3-piperidin-1-yl-propoxy)-phenyl]-3-phenyl-propan-1-one
• 英文别名: GP05；MB1_E_009015A-1；GPV005；MMV009015；1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
• CAS: 63148-67-4
• 化学式: C₂₃H₂₉NO₃
• 分子量: 367.488
• InChiKey: DMYOHQBLOZMDLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  4002991100

制备方法与用途

用途广泛适用于建筑、土木工程、航空、航天、船舶、铁路以及汽车行业作为密封剂，并且可用作火箭固体燃料的粘合剂。

反应信息

• 作为产物：
  描述：

  2'-羟基-3-苯基苯丙酮 在 sodium hydroxide 作用下， 反应 18.0h， 生成 聚硫橡胶
  参考文献：
  名称：

  Synthesis, Pharmacologic Activity, and Structure-Activity Relationships of a Series of Propafenone-Related Modulators of Multidrug Resistance

  摘要：

  A series of [(o-acylaryl)oxy]propanolamines have been prepared and evaluated for multidrug resistance-reverting activity in a human tumor cell model. Structure-activity relationship studies indicate that the phenylpropiophenone moiety as well as the substitution pattern at the nitrogen atom is crucial for activity of the compounds. Incorporation of the ether oxygen into a benzofuran substructure, which renders the compound an arylethanolamine, decreased biologic activity. Highest activity could be observed with the arylpiparazines 4f-h, which not only completely restored daunomycin sensitivity but also showed moderate activity in restoring etoposide toxicity.

  DOI：

  10.1021/jm00014a031

文献信息

• The hERG Potassium Channel and Drug Trapping: Insight from Docking Studies with Propafenone Derivatives
  作者：Khac-Minh Thai、Andreas Windisch、Daniela Stork、Anna Weinzinger、Andrea Schiesaro、Robert H. Guy、Eugen N. Timin、Steffen Hering、Gerhard F. Ecker

  DOI：10.1002/cmdc.200900374

  日期：——

  the hERG potassium ion channel can accommodate large, structurally diverse compounds that can be trapped in the channel by closure of the activation gate. A small set of propafenone derivatives was synthesized, and both use‐dependency and recovery from block were tested in order to gain insight into the behavior of these compounds with respect to trapping and non‐trapping. Ligand–protein docking into

  hERG钾离子通道的内腔可以容纳结构上多样的大型化合物，这些化合物可以通过关闭激活门而被捕获在通道中。合成了一小批普罗帕酮衍生物，并测试了其依赖性和从嵌段中回收，以深入了解这些化合物在捕集和非捕集方面的行为。配体-蛋白质对接到hERG通道关闭和打开状态的同源性模型中，为药物捕获的分子基础提供了第一个证据。
• High Throughput Assay for Discovering New Inhibitors of the GIRK1/4 Channel
  申请人：Walsh Kenneth B.

  公开号：US20110281278A1

  公开（公告）日：2011-11-17

  In certain embodiments of the present disclosure, a method for determining an inhibitor of acetylcholine-activated potassium channel is described. The method includes incubating a cardiac cell in a solution comprising a test compound. The method further includes adding a muscarine (M2) receptor agonist to the cardiac cell in the solution and monitoring the cardiac cell for a change in membrane potential. A statistically insignificant change in the membrane potential following addition of the muscarine (M2) receptor to the solution signifies that the test compound is a K + channel blocker that inhibits opening of the acetylcholine-activated potassium channel.
• US8323911B2
  申请人：——

  公开号：US8323911B2

  公开（公告）日：2012-12-04
• Studenik; Lemmens-Gruber; Heistracher, Arzneimittel Forschung, 1996, vol. 46, # 2, p. 134 - 138
  作者：Studenik、Lemmens-Gruber、Heistracher、Ecker、Maxl、Fleischhacker

  DOI：——

  日期：——
• Synthesis, Pharmacologic Activity, and Structure-Activity Relationships of a Series of Propafenone-Related Modulators of Multidrug Resistance
  作者：Peter Chiba、Sabine Burghofer、Elisabeth Richter、Barbara Tell、Andrea Moser、Gerhard Ecker

  DOI：10.1021/jm00014a031

  日期：1995.7

  A series of [(o-acylaryl)oxy]propanolamines have been prepared and evaluated for multidrug resistance-reverting activity in a human tumor cell model. Structure-activity relationship studies indicate that the phenylpropiophenone moiety as well as the substitution pattern at the nitrogen atom is crucial for activity of the compounds. Incorporation of the ether oxygen into a benzofuran substructure, which renders the compound an arylethanolamine, decreased biologic activity. Highest activity could be observed with the arylpiparazines 4f-h, which not only completely restored daunomycin sensitivity but also showed moderate activity in restoring etoposide toxicity.