N-(1-Ethoxy-2,2,2-trifluoroethyl)-3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)benzenamine | 918643-05-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(1-Ethoxy-2,2,2-trifluoroethyl)-3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)benzenamine
• 英文别名: N-(1-ethoxy-2,2,2-trifluoroethyl)-3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
• CAS: 918643-05-7
• 化学式: C₂₁H₁₈F₄N₄O₂S
• 分子量: 466.459
• InChiKey: IZFKOMXJWLWGHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  89.4
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N-(1-Ethoxy-2,2,2-trifluoroethyl)-3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)benzenamine 、 丙二酸二乙酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 Diethyl 2-(2,2,2-trifluoro-1-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylamino)ethyl)malonate
  参考文献：
  名称：

  Identification of potent and selective VEGFR receptor tyrosine kinase inhibitors having new amide isostere headgroups

  摘要：

  A novel series of malonamide-type dual VEGFR2/c-Met inhibitors in which one of the amide bonds was replaced by an amide isostere-a trifluoroethylamine unit, was designed, synthesized, and evaluated for their enzymatic and cellular inhibition of VEGFR2 and c-Met enzymes. Optimization of these molecular entities resulted in identification of potent and selective inhibitors of VEGFR2 enzyme. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.099
• 作为产物：
  描述：

  3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thienthio[3,2-b]pyridine-7-oxy)aniline 、 2,2-二乙氧基-1,1,1-三氟乙烷 在 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 生成 N-(1-Ethoxy-2,2,2-trifluoroethyl)-3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)benzenamine
  参考文献：
  名称：

  Identification of potent and selective VEGFR receptor tyrosine kinase inhibitors having new amide isostere headgroups

  摘要：

  A novel series of malonamide-type dual VEGFR2/c-Met inhibitors in which one of the amide bonds was replaced by an amide isostere-a trifluoroethylamine unit, was designed, synthesized, and evaluated for their enzymatic and cellular inhibition of VEGFR2 and c-Met enzymes. Optimization of these molecular entities resulted in identification of potent and selective inhibitors of VEGFR2 enzyme. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.099

文献信息

• Inhibitors of VEGF receptor and HGF receptor signaling
  申请人：Saavedra Mario Oscar

  公开号：US20070004675A1

  公开（公告）日：2007-01-04

  The invention relates to the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention provides compounds and methods for inhibiting VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions

  该发明涉及抑制VEGF受体信号和HGF受体信号。该发明提供了抑制VEGF受体信号和HGF受体信号的化合物和方法。该发明还提供了治疗细胞增殖性疾病和病况的组合物和方法。
• INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY
  申请人：Saavedra Mario Oscar

  公开号：US20080064718A1

  公开（公告）日：2008-03-13

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds that inhibit the protein tyrosine kinase activity of growth factor receptors, resulting in the inhibition of receptor signaling, for example, the inhibition of VEGF receptor signaling and HGF receptor signaling. More particularly, the invention relates to compounds, compositions and methods for the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制蛋白酪氨酸激酶活性的化合物。特别是，本发明涉及抑制生长因子受体蛋白酪氨酸激酶活性的化合物，从而抑制受体信号传导，例如抑制VEGF受体信号和HGF受体信号的传导。更具体地，本发明涉及用于抑制VEGF受体信号和HGF受体信号的化合物、组合物和方法。本发明还提供了用于治疗细胞增殖性疾病和病状的组合物和方法。
• Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling
  申请人：Methylgene Inc.

  公开号：US08093264B2

  公开（公告）日：2012-01-10

  The invention relates to the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention provides compounds of general formula (A) wherein A1 is sulfur, A3 is CH, A2 is CH, D is heterocycle, Z is oxygen, SO0-2 or NR, Ar is phenyl and G is not a ring, and methods for inhibiting VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制VEGF受体信号和HGF受体信号的方法。本发明提供了通式（A）的化合物，其中A1为硫，A3为CH，A2为CH，D为杂环，Z为氧，SO0-2或NR，Ar为苯基，G不是环，并提供了抑制VEGF受体信号和HGF受体信号的方法。本发明还提供了用于治疗细胞增殖性疾病和病症的组合物和方法。
• INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING
  申请人：Saavedra Oscar Mario

  公开号：US20120083482A1

  公开（公告）日：2012-04-05

  The invention relates to the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention provides compounds of general formula (A) wherein A 1 is sulfur, A 3 is CH, A 2 is CH, D is heterocycle, Z is oxygen, SO 0-2 or NR, Ar is phenyl and G is not a ring, and methods for inhibiting VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制VEGF受体信号和HGF受体信号的技术。本发明提供了通式（A）的化合物，其中A1为硫，A3为CH，A2为CH，D为杂环，Z为氧，SO0-2或NR，Ar为苯基，G不是环，并提供了抑制VEGF受体信号和HGF受体信号的方法。本发明还提供了治疗细胞增殖性疾病和病情的组合物和方法。
• US8093264B2
  申请人：——

  公开号：US8093264B2

  公开（公告）日：2012-01-10