2-(6-(3''-(Aminomethyl)biphenyl-3-yloxy)-4-((2-(dimethylamino)ethyl)(methyl)amino)-3,5-difluoropyridin-2-yloxy)-4-(dimethylamino)benzoic acid | 1193366-83-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(6-(3''-(Aminomethyl)biphenyl-3-yloxy)-4-((2-(dimethylamino)ethyl)(methyl)amino)-3,5-difluoropyridin-2-yloxy)-4-(dimethylamino)benzoic acid
• 英文别名: 2-[6-[3-[3-(aminomethyl)phenyl]phenoxy]-4-[2-(dimethylamino)ethyl-methylamino]-3,5-difluoropyridin-2-yl]oxy-4-(dimethylamino)benzoic acid
• CAS: 1193366-83-4
• 化学式: C₃₂H₃₅F₂N₅O₄
• 分子量: 591.658
• InChiKey: UYOZPCXLATVAGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  43
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  在 水 、 lithium hydroxide 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 以57%的产率得到2-(6-(3''-(Aminomethyl)biphenyl-3-yloxy)-4-((2-(dimethylamino)ethyl)(methyl)amino)-3,5-difluoropyridin-2-yloxy)-4-(dimethylamino)benzoic acid
  参考文献：
  名称：

  Identification of orally bioavailable, non-amidine inhibitors of Urokinase Plasminogen Activator (uPA)

  摘要：

  In this Letter we report the synthesis and evaluation of a series of non-amidine inhibitors of Urokinase Plasminogen Activator (uPA). Starting from compound 1, a significant change provided compounds in which the amidine, binding in the S1 pocket, was replaced with a primary amine. Further modifications led to the identification of potent, selective, and orally bioavailable uPA inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.008

文献信息

• Neonatal Fc receptor (FcRn)-binding polypeptide variants, dimeric Fc binding proteins and methods related thereto
  申请人：Farrington K. Graham

  公开号：US20070148164A1

  公开（公告）日：2007-06-28

  The compositions and methods of the present invention are based, in part, on our discovery that an effector function mediated by an Fc-containing polypeptide can be altered by modifying one or more amino acid residues within the polypeptide (by, for example, electrostatic optimization). The polypeptides that can be generated according to the methods of the invention are highly variable, and they can include antibodies and fusion proteins that contain an Fc region or a biologically active portion thereof.

  本发明的组成和方法部分基于我们的发现，由Fc含有多肽介导的效应功能可以通过修改多肽中的一个或多个氨基酸残基（例如，通过静电优化）来改变。根据本发明的方法可以生成的多肽高度可变，其中可以包括含有Fc区域或其生物活性部分的抗体和融合蛋白。
• Identification of orally bioavailable, non-amidine inhibitors of Urokinase Plasminogen Activator (uPA)
  作者：Christopher W. West、Marc Adler、Danny Arnaiz、Deborah Chen、Kieu Chu、Giovanna Gualtieri、Elena Ho、Christoph Huwe、David Light、Gary Phillips、Rebecca Pulk、Drew Sukovich、Marc Whitlow、Shendong Yuan、Judi Bryant

  DOI：10.1016/j.bmcl.2009.08.008

  日期：2009.10

  In this Letter we report the synthesis and evaluation of a series of non-amidine inhibitors of Urokinase Plasminogen Activator (uPA). Starting from compound 1, a significant change provided compounds in which the amidine, binding in the S1 pocket, was replaced with a primary amine. Further modifications led to the identification of potent, selective, and orally bioavailable uPA inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.