N-(4-fluoro-3-nitrophenyl)-(4-chlorophenyl)-carboxamide | 196812-99-4

• 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: N-(4-fluoro-3-nitrophenyl)-(4-chlorophenyl)-carboxamide
• 英文别名: 4-Chloro-4'-fluoro-3'-nitrobenzanilide；4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide
• CAS: 196812-99-4
• 化学式: C₁₃H₈ClFN₂O₃
• 分子量: 294.67
• InChiKey: QRLQJBLRGHBJRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 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：
  74.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(4-fluoro-3-nitrophenyl)-(4-chlorophenyl)-carboxamide 在 氨 、 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以84%的产率得到N-(4-hydrazino-3-nitrophenyl)-(4-chlorophenyl)carboxamide
  参考文献：
  名称：

  [EN] COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM
  [FR] COMPOSÉS QUI MODULENT LE CALCIUM INTRACELLULAIRE

  摘要：

  公开号：

  WO2011139765A3
• 作为产物：
  描述：

  对氯苯甲酸 在 N,N-二甲基甲酰胺 草酰氯 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 N-(4-fluoro-3-nitrophenyl)-(4-chlorophenyl)-carboxamide
  参考文献：
  名称：

  [EN] COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM
  [FR] COMPOSÉS QUI MODULENT LE CALCIUM INTRACELLULAIRE

  摘要：

  公开号：

  WO2011139765A3

文献信息

• PHENYLPYRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE
  申请人：Whitten Jeffrey P.

  公开号：US20110230536A1

  公开（公告）日：2011-09-22

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases, disorders or conditions that would benefit from inhibition of SOC channel activity.

  本文描述了包含这些化合物的药物组合物，这些化合物调节储存操作钙（SOC）通道的活性。本文还描述了使用这种SOC通道调节剂的方法，单独或与其他化合物结合，用于治疗需要抑制SOC通道活性的疾病、障碍或状况。
• COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM
  申请人：Whitten Jeffrey P.

  公开号：US20130203818A1

  公开（公告）日：2013-08-08

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of SOC channel activity.

  本文介绍了包含这些化合物的药物组合物，这些化合物调节储存操作钙（SOC）通道的活性。本文还描述了使用这种SOC通道调节剂的方法，单独或与其他化合物结合，用于治疗需要抑制SOC通道活性的疾病或病症。
• Compounds that modulate intracellular calcium
  申请人：CalciMedica, Inc.

  公开号：US09090612B2

  公开（公告）日：2015-07-28

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of SOC channel activity.

  本文描述了含有这些化合物的药物组合物，这些化合物调节储存操作钙（SOC）通道的活性。本文还描述了使用这种SOC通道调节剂的方法，单独或与其他化合物结合，用于治疗需要抑制SOC通道活性的疾病或病症。
• Itk kinase inhibitors: Initial efforts to improve the metabolical stability and the cell activity of the benzimidazole lead
  作者：Kevin J. Moriarty、Michael Winters、Lei Qiao、Declan Ryan、Renee DesJarlis、Darius Robinson、Brian N. Cook、Mohammed A. Kashem、Paul V. Kaplita、Lisa H. Liu、Thomas M. Farrell、Hnin Hnin Khine、Josephine King、Steven S. Pullen、Gregory P. Roth、Ronald Magolda、Hidenori Takahashi

  DOI：10.1016/j.bmcl.2008.09.017

  日期：2008.10

  Previously, we reported a series of novel benzimidazole based Itk inhibitors that exhibited excellent enzymatic potency and selectivity but low microsomal stability. Employing a structure based approach a new series of inhibitors with comparable potency and selectivity to the original series and with a potential for improved microsome stability was identified. (c) 2008 Elsevier Ltd. All rights reserved.
• US8754219B2
  申请人：——

  公开号：US8754219B2

  公开（公告）日：2014-06-17