3-[4-(Aminomethyl)phenyl]phenol | 858674-03-0

• 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: 3-[4-(Aminomethyl)phenyl]phenol
• 英文别名: 3-[4-(aminomethyl)phenyl]phenol
• CAS: 858674-03-0
• 化学式: C₁₃H₁₃NO
• 分子量: 199.252
• InChiKey: LFCSUJGYQAGXHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 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：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 3-[4-(Aminomethyl)phenyl]phenol 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 (3'-hydroxy-biphenyl-4-ylmethyl)-carbamic acid tert-butyl ester
  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
• 作为产物：
  描述：

  3′-羟基-[1,1′-联苯]-4-甲腈 3′-羟基联苯-4-甲腈 在 氢气 作用下， 以 甲醇 、 异丙醇 为溶剂， 生成 3-[4-(Aminomethyl)phenyl]phenol
  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

• 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.