2-甲基-4-[2-(4-吗啉基)乙氧基]苯胺 | 946742-70-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-甲基-4-[2-(4-吗啉基)乙氧基]苯胺
• 英文名称: 2-methyl-4-(2-morpholin-4-yl-ethoxy)-phenylamine
• 英文别名: 2-Methyl-4-[2-(4-morpholinyl)ethoxy]phenylamine；2-methyl-4-(2-morpholin-4-ylethoxy)aniline
• CAS: 946742-70-7
• 化学式: C₁₃H₂₀N₂O₂
• mdl: MFCD08688279
• 分子量: 236.314
• InChiKey: ICOGHJZAJAHNFY-UHFFFAOYSA-N

物化性质

• 沸点：
  405.5±45.0 °C(Predicted)
• 密度：
  1.109±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  47.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  三光气 、 2-甲基-4-[2-(4-吗啉基)乙氧基]苯胺 、 1-(5'-amino-2',3,3'-trimethoxybiphenyl-4-yl)ethanone 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.66h， 以44%的产率得到N-(4'-acetyl-3',5,6-trimethoxybiphenyl-3-yl)-N'-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]urea
  参考文献：
  名称：

  Biphenyl derivatives incorporating urea unit as novel VEGFR-2 inhibitors: Design, synthesis and biological evaluation

  摘要：

  A series of novel biphenyl urea derivates were synthesized and investigated for their potential to inhibit vascular endothelial growth factor receptor-2 (VEGFR-2). In particular, A7, B3 and B4 displayed significant enzymatic inhibitory activities, with IC50 values of 4.06, 4.55 and 5.26 nM. Compound A7 exhibited potent antiproliferative activity on several cell lines. SAR study suggested that the introduction of methyl at ortho-position of the biphenyl urea and tertiary amine moiety could improve VEGFR-2 inhibitory activity and antitumor effects. Molecular docking indicated that the urea moiety formed four hydrogen bonds with DFG residue. These biphenyl ureas could serve as promising lead compounds for further optimization. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.11.027
• 作为产物：
  描述：

  4-[2-(3-甲基-4-硝基-苯氧基)-乙基]-吗啉 在 钯 2-甲基-4-[2-(4-吗啉基)乙氧基]苯胺 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 2-甲基-4-[2-(4-吗啉基)乙氧基]苯胺
  参考文献：
  名称：

  COMPOUNDS AND THERAPEUTIC USES THEREOF

  摘要：

  本发明涉及化合物、药物组合物及其用途，包括治疗用途，例如用于治疗癌症的有用方法。

  公开号：

  US20120122840A1
• 作为试剂：
  描述：

  4-[2-(3-甲基-4-硝基-苯氧基)-乙基]-吗啉 在 钯 2-甲基-4-[2-(4-吗啉基)乙氧基]苯胺 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 2-甲基-4-[2-(4-吗啉基)乙氧基]苯胺
  参考文献：
  名称：

  COMPOUNDS AND THERAPEUTIC USES THEREOF

  摘要：

  本发明涉及化合物、药物组合物及其用途，包括治疗用途，例如用于治疗癌症的有用方法。

  公开号：

  US20120122840A1

文献信息

• [EN] PURINE DERIVATIVES USEFUL AS ANTI - CANCER AGENTS<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：MYRIAD PHARMACEUTICALS INC

  公开号：WO2010111406A3

  公开（公告）日：2011-07-07
• [EN] COMPOUNDS AND THERAPEUTIC USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：MYRIAD PHARMACEUTICALS INC

  公开号：WO2010111406A2

  公开（公告）日：2010-09-30

  The invention relates to compounds of formulae I or II, pharmaceutical compositions, and uses thereof, including therapeutic uses thereof, such as methods useful for treating cancer.
• Biphenyl derivatives incorporating urea unit as novel VEGFR-2 inhibitors: Design, synthesis and biological evaluation
  作者：Chen Wang、Hongping Gao、Jinyun Dong、Yanmin Zhang、Ping Su、Yaling Shi、Jie Zhang

  DOI：10.1016/j.bmc.2013.11.027

  日期：2014.1

  A series of novel biphenyl urea derivates were synthesized and investigated for their potential to inhibit vascular endothelial growth factor receptor-2 (VEGFR-2). In particular, A7, B3 and B4 displayed significant enzymatic inhibitory activities, with IC50 values of 4.06, 4.55 and 5.26 nM. Compound A7 exhibited potent antiproliferative activity on several cell lines. SAR study suggested that the introduction of methyl at ortho-position of the biphenyl urea and tertiary amine moiety could improve VEGFR-2 inhibitory activity and antitumor effects. Molecular docking indicated that the urea moiety formed four hydrogen bonds with DFG residue. These biphenyl ureas could serve as promising lead compounds for further optimization. (C) 2013 Elsevier Ltd. All rights reserved.
• COMPOUNDS AND THERAPEUTIC USES THEREOF
  申请人：Kumar Dange Vijay

  公开号：US20120122840A1

  公开（公告）日：2012-05-17

  The invention relates to compounds, pharmaceutical compositions, and uses thereof, including therapeutic uses thereof, such as methods useful for treating cancer.

  本发明涉及化合物、药物组合物及其用途，包括治疗用途，例如用于治疗癌症的有用方法。