4-trifluoromethoxy-N-(pyridin-3-yl)benzamide | 1246664-87-8

• 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: 4-trifluoromethoxy-N-(pyridin-3-yl)benzamide
• 英文别名: N-pyridin-3-yl-4-(trifluoromethoxy)benzamide
• CAS: 1246664-87-8
• 化学式: C₁₃H₉F₃N₂O₂
• 分子量: 282.222
• InChiKey: IBWCFWUVGCEOTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氨基吡啶 、 4-(三氟甲氧基)苯甲酰氯 在 吡啶 作用下， 反应 20.0h， 以72%的产率得到4-trifluoromethoxy-N-(pyridin-3-yl)benzamide
  参考文献：
  名称：

  N-(Pyridin-3-yl)benzamides as selective inhibitors of human aldosterone synthase (CYP11B2)

  摘要：

  A series of 23 N-(Pyridin-3-yl)benzamides was synthesized and evaluated for their potential to inhibit human steroid-11 beta-hydroxylase (CYP11B1) and human aldosterone synthase (CYP11B2). The most potent and selective CYP11B2 inhibitors (IC50 values 53-166 nM) were further evaluated for their potential to inhibit human CYP17 and CYP19, and no inhibition was observed. Clear evidence was shown for N-(Pyridin-3-yl) benzamides to be a highly selective class of CYP11B2 inhibitors in vitro. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.040

文献信息

• Acylated Aminopyridine and Aminopyridazine Insecticides
  申请人：FUSSLEIN Martin

  公开号：US20100305124A1

  公开（公告）日：2010-12-02

  The present invention relates to aminopyridine and aminopyridazine derivatives of the general formula (I) in which R 1 , X, W and Q have the definitions given in the description, to a number of processes for preparing them, and to their use as insecticides.

  本发明涉及一种氨基吡啶和氨基吡啗衍生物，其通式为(I)，其中R1、X、W和Q的定义如描述中所示，以及一些制备它们的方法，以及它们作为杀虫剂的用途。
• N-(Pyridin-3-yl)benzamides as selective inhibitors of human aldosterone synthase (CYP11B2)
  作者：Christina Zimmer、Marieke Hafner、Michael Zender、Dominic Ammann、Rolf W. Hartmann、Carsten A. Vock

  DOI：10.1016/j.bmcl.2010.11.040

  日期：2011.1

  A series of 23 N-(Pyridin-3-yl)benzamides was synthesized and evaluated for their potential to inhibit human steroid-11 beta-hydroxylase (CYP11B1) and human aldosterone synthase (CYP11B2). The most potent and selective CYP11B2 inhibitors (IC50 values 53-166 nM) were further evaluated for their potential to inhibit human CYP17 and CYP19, and no inhibition was observed. Clear evidence was shown for N-(Pyridin-3-yl) benzamides to be a highly selective class of CYP11B2 inhibitors in vitro. (C) 2010 Elsevier Ltd. All rights reserved.