2-Methoxy-4-pyridin-4-ylaniline | 103348-14-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-Methoxy-4-pyridin-4-ylaniline
• CAS: 103348-14-7
• 化学式: C₁₂H₁₂N₂O
• 分子量: 200.24
• InChiKey: KHBKXVOTUGKMPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Methoxy-4-pyridin-4-ylaniline 在 platinum(IV) oxide 、 氢气 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 仲丁醇 为溶剂， 生成 N-[3-[5-chloro-2-(2-methoxy-4-pyridin-4-ylanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
  参考文献：
  名称：

  Discovery of selective irreversible inhibitors for EGFR-T790M

  摘要：

  Targeting the epidermal growth factor receptor kinase (EGFR) with ATP-competitive kinase inhibitors results in dramatic but short-lived responses in patients with EGFR mutant non small cell lung cancer. A series of novel covalent EGFR kinase inhibitors with selectivity for the clinically relevant T790M 'gatekeeper' resistance mutation relative to wild-type EGFR were discovered by library screening. A representative compound 3i was obtained through a systematic SAR study guided by mutant EGFR-dependent cellular proliferation assays. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.036
• 作为产物：
  描述：

  5-溴-2-硝基苯甲醚 在 四(三苯基膦)钯 、 镍 、 potassium carbonate 、 肼 作用下， 以 甲醇 、 乙醇 、 水 、 甲苯 为溶剂， 生成 2-Methoxy-4-pyridin-4-ylaniline
  参考文献：
  名称：

  Discovery of lipoic acid-4-phenyl-1H-pyrazole hybrids as novel bifunctional ROCK inhibitors with antioxidant activity

  摘要：

  一种具有抗氧化性质的高选择性ROCK2抑制剂。

  DOI：

  10.1039/c6ra12081d

文献信息

• Cardiotonic agents. 1. Synthesis and structure-activity relationships in a new class of 3-, 4- and 5-pyridyl-2(1H)-quinolone derivatives
  作者：Gerard Leclerc、Gilbert Marciniak、Nicole Decker、Jean Schwartz

  DOI：10.1021/jm00162a002

  日期：1986.12

  A series of 3-, 4-, and 5-pyridyl-2(1H)-quinolone derivatives with H or HO or CH3O substituents in the 8-position were prepared and tested for positive inotropic activity. Several derivatives, especially 29, 9b, and 27 with a pyridyl ring in the 5-position, were ca. 2-10 times more potent on left guinea pig atria than sulmazole (ARL-115) and milrinone used as references. Some structure-activity relationships

  制备了一系列在8位具有H或HO或CH3O取代基的3-，4-和5-吡啶基-2（1H）-喹诺酮衍生物，并测试了其正性肌力活性。大约有几个衍生物，特别是在5位带有吡啶环的29、9b和27。左豚鼠心房的效力是舒马唑（ARL-115）和米力农用作参考的2-10倍。讨论了一些构效关系。
• ——
  作者：LECLERC G.、 MANOURY P.

  DOI：——

  日期：——
• Discovery of selective irreversible inhibitors for EGFR-T790M
  作者：Wenjun Zhou、Dalia Ercan、Pasi A. Jänne、Nathanael S. Gray

  DOI：10.1016/j.bmcl.2010.12.036

  日期：2011.1

  Targeting the epidermal growth factor receptor kinase (EGFR) with ATP-competitive kinase inhibitors results in dramatic but short-lived responses in patients with EGFR mutant non small cell lung cancer. A series of novel covalent EGFR kinase inhibitors with selectivity for the clinically relevant T790M 'gatekeeper' resistance mutation relative to wild-type EGFR were discovered by library screening. A representative compound 3i was obtained through a systematic SAR study guided by mutant EGFR-dependent cellular proliferation assays. (C) 2010 Elsevier Ltd. All rights reserved.
• Discovery of lipoic acid-4-phenyl-1H-pyrazole hybrids as novel bifunctional ROCK inhibitors with antioxidant activity
  作者：Ya-lin Tu、Qiu-he Chen、Sheng-nan Wang、Asko Uri、Xiao-hong Yang、Jia-qi Chu、Jing-kao Chen、Bing-ling Luo、Xiao-hong Chen、Shi-jun Wen、Rong-biao Pi

  DOI：10.1039/c6ra12081d

  日期：——

  A potently selective ROCK2 inhibitor with antioxidative properties.

  一种具有抗氧化性质的高选择性ROCK2抑制剂。