3-fluoro-N-(pyridin-3-yl)benzamide | 312703-76-7

• 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-fluoro-N-(pyridin-3-yl)benzamide
• 英文别名: 3-fluoro-N-pyridin-3-ylbenzamide
• CAS: 312703-76-7
• 化学式: C₁₂H₉FN₂O
• mdl: MFCD00578434
• 分子量: 216.215
• InChiKey: ZITBGGJTKXRPNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氨基吡啶 、 间氟苯甲酰氯 在 吡啶 作用下， 反应 20.0h， 以50%的产率得到3-fluoro-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

• [EN] BENZOPYRAZOLE COMPOUND AND INTERMEDIATE, PREPARATION METHOD, AND APPLICATION THEREOF<br/>[FR] COMPOSÉ BENZOPYRAZOLE ET INTERMÉDIAIRE, PROCÉDÉ DE PRÉPARATION CORRESPONDANT ET UTILISATION ASSOCIÉE<br/>[ZH] 苯并吡唑类化合物及其中间体、制备方法和应用
  申请人：JIANGSU KDN PHARMACEUTICAL TECH CO LTD

  公开号：WO2021121420A1

  公开（公告）日：2021-06-24

  一种苯并吡唑类化合物及其中间体、制备方法和应用。苯并吡唑类化合物如式I所示。式I所示化合物作为Wnt途径中一种或多种蛋白的抑制剂，以及对蛋白多糖、Ⅱ型胶原、sox9、Ⅰ型胶原、Ⅹ型胶原、成骨转录基因和碱性磷酸酶中的一种或多种具有较好的诱导作用，进而可以用来治疗和/或预防相关疾病。
• 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.