2-(quinolin-2-yloxy)acetonitrile | 1443679-85-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(quinolin-2-yloxy)acetonitrile
• 英文别名: 2-Quinolin-2-yloxyacetonitrile
• CAS: 1443679-85-3
• 化学式: C₁₁H₈N₂O
• 分子量: 184.197
• InChiKey: NJKVUKABMYXWEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  45.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(quinolin-2-yloxy)acetonitrile 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 30.0h， 生成
  参考文献：
  名称：

  Activity–lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments

  摘要：

  A series of alkyloxyquinoline derivatives has been developed to evaluate the relationship between P-gp potency and lipophilicity. The results show a satisfactory lipophilicity-activity correlation although a series of derivatives showing higher P-gp potency is needed in order to confirm this hypothesis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.019
• 作为产物：
  描述：

  氯乙腈 、 2-喹啉醇 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 0.25h， 以46%的产率得到2-(quinolin-2-yloxy)acetonitrile
  参考文献：
  名称：

  Activity–lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments

  摘要：

  A series of alkyloxyquinoline derivatives has been developed to evaluate the relationship between P-gp potency and lipophilicity. The results show a satisfactory lipophilicity-activity correlation although a series of derivatives showing higher P-gp potency is needed in order to confirm this hypothesis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.019

文献信息

• PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS
  申请人：Schering Aktiengesellschaft

  公开号：EP1412349A2

  公开（公告）日：2004-04-28
• [EN] PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR D'ADENOSINE DIPHOSPHATE PLAQUETTAIRE
  申请人：SCHERING AG

  公开号：WO2002098856A2

  公开（公告）日：2002-12-12

  Compounds of the following formula (I): where a, b, R?1, R2, R3, R4 and R6¿ are described herein, are useful as inhibitors of platelet adenosine diphosphate. Pharmaceutical compositions containing these compounds, methods of using these compounds as antithrombotic agents and processes for synthesizing these compounds are also described herein.
• Activity–lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments
  作者：Marialessandra Contino、Laura Zinzi、Mariangela Cantore、Maria Grazia Perrone、Marcello Leopoldo、Francesco Berardi、Roberto Perrone、Nicola Antonio Colabufo

  DOI：10.1016/j.bmcl.2013.05.019

  日期：2013.7

  A series of alkyloxyquinoline derivatives has been developed to evaluate the relationship between P-gp potency and lipophilicity. The results show a satisfactory lipophilicity-activity correlation although a series of derivatives showing higher P-gp potency is needed in order to confirm this hypothesis. (C) 2013 Elsevier Ltd. All rights reserved.