3-(2-氨基-1-羟基乙基)苯甲腈 | 92536-05-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(2-氨基-1-羟基乙基)苯甲腈
• 英文名称: 3-(2-Amino-1-hydroxyethyl)benzonitrile
• CAS: 92536-05-5
• 化学式: C₉H₁₀N₂O
• 分子量: 162.191
• InChiKey: ZHNZFASIUKYYDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  70
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  4-chloro-6-(3-chloro-4-trifluoromethyl-phenyl)pyrimidine 、 3-(2-氨基-1-羟基乙基)苯甲腈 在 碳酸氢钠 作用下， 以 1,4-二氧六环 为溶剂， 生成 3-[2-({6-[3-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl}amino)-1-hydroxyethyl]benzonitrile
  参考文献：
  名称：

  1-Aryl-2-((6-aryl)pyrimidin-4-yl)amino)ethanols as competitive inhibitors of fatty acid amide hydrolase

  摘要：

  A series of 1-aryl-2-(((6-aryl)pyrimidin-4-yl)amino)ethanols have been found to be competitive inhibitors of fatty acid amide hydrolase (FAAH). One member of this class, JNJ-40413269, was found to have excellent pharmacokinetic properties, demonstrated robust central target engagement, and was efficacious in a rat model of neuropathic pain. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.064
• 作为产物：
  描述：

  3-(2-溴乙酰基)苯甲腈 生成 3-(2-氨基-1-羟基乙基)苯甲腈
  参考文献：
  名称：

  Pratesi; Grana; Villa, Farmaco, Edizione Scientifica, 1973, vol. 28, # 10, p. 753 - 765

  摘要：

  DOI：

文献信息

• Design and synthesis of a functionally selective D3 agonist and its in vivo delivery via the intranasal route
  作者：Julian Blagg、Charlotte M.N. Allerton、David V.J. Batchelor、Andrew D. Baxter、Denise J. Burring、Christopher L. Carr、Andrew S. Cook、Carly L. Nichols、Joanne Phipps、Vivienne G. Sanderson、Hugh Verrier、Stephen Wong

  DOI：10.1016/j.bmcl.2007.10.059

  日期：2007.12

  This paper reports the synthesis and biological activity of a novel series of aryl-morpholine dopamine receptor agonists. Several compounds show high levels of functional selectivity for the D3 over the D2 dopamine receptor. Compound 26 has > 1000-fold functional selectivity and has been successfully progressed in vivo using an intranasal delivery route. (c) 2007 Elsevier Ltd. All rights reserved.
• Novel 1H-(benzimidazol-2-yl)-1H-pyridin-2-one inhibitors of insulin-like growth factor I (IGF-1R) kinase
  作者：Mark D. Wittman、Balu Balasubramanian、Karen Stoffan、Upender Velaparthi、Pieying Liu、Subramaniam Krishnanathan、Joan Carboni、Aixin Li、Ann Greer、Ricardo Attar、Marco Gottardis、Chiehying Chang、Bruce Jacobson、Yax Sun、Steven Hansel、Mary Zoeckler、Dolatrai M. Vyas

  DOI：10.1016/j.bmcl.2006.11.041

  日期：2007.2

  A novel class of 1H-(benzimidazol-2-yl)-1H-pyridin-2-one inhibitors of insulin-like growth factor I (IGF-1R) kinase is described. This report discusses the SAR of 4-(2-hydroxy-2-phenylethylamino)-substituted pyridones with improved IGF-1R potency. (c) 2006 Elsevier Ltd. All rights reserved.