5-amino-N-(2-(ethylaminomethyl)-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide | 960249-80-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-amino-N-(2-(ethylaminomethyl)-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
• 英文别名: 5-Amino-N-{2-[(ethylamino)methyl]-3,3,3-trifluoro-2-hydroxypropyl}-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide；5-amino-N-[2-(ethylaminomethyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
• CAS: 960249-80-3
• 化学式: C₁₆H₁₉F₄N₅O₂
• 分子量: 389.353
• InChiKey: RCMPLSVXLIVZTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  105
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  5-amino-N-(2-(ethylaminomethyl)-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide 在 palladium on activated charcoal 、 氢气 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-amino-N-[2-[[ethyl-[(2R)-pyrrolidine-2-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
  参考文献：
  名称：

  Novel selective glucocorticoid receptor agonists (SEGRAs) with a covalent warhead for long-lasting inhibition

  摘要：

  The synthesis and in vitro properties of six analogues of the selective glucocorticoid receptor (GR) agonist GSK866, bearing a warhead for covalent linkage to the glucocorticoid receptor, is described. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.08.091
• 作为产物：
  描述：

  5-amino-N-(2-((benzyl(ethyl)amino)methyl)-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide 在 palladium hydroxide on carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 5-amino-N-(2-(ethylaminomethyl)-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  WO2008/74814

  摘要：

  公开号：

文献信息

• PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS
  申请人：Campbell Ian Baxter

  公开号：US20100035926A1

  公开（公告）日：2010-02-11

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates, and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation.

  本发明提供式(I)的化合物，它们的制备方法，包含这些化合物的制药组合物以及制备这些组合物的方法，中间体，以及将这些化合物用于制造治疗药物，特别是用于治疗炎症的药物。
• NOVEL COMPOUNDS
  申请人：Barnett Heather Anne

  公开号：US20100234441A1

  公开（公告）日：2010-09-16

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation, allergy and/or autoimmune conditions.

  本发明提供了式（I）的化合物，其制备过程，包括化合物的制剂和制备该制剂的制备方法，中间体以及化合物用于制备治疗药物，特别是用于治疗炎症，过敏和/或自身免疫疾病的用途。
• Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions
  申请人：BARNETT Heather Anne

  公开号：US20120277279A1

  公开（公告）日：2012-11-01

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation, allergy and/or auto-immune conditions.

  本发明提供了式（I）的化合物：它们的制备方法，包括这些化合物的制剂以及该制剂的制备方法，中间体以及使用这些化合物制造治疗药物，特别是用于治疗炎症，过敏和/或自身免疫疾病。
• Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions
  申请人：Glaxo Group Limited

  公开号：US08247377B2

  公开（公告）日：2012-08-21

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation, allergy and/or autoimmune conditions.

  本发明提供了式（I）的化合物，以及它们的制备方法，包括含有该化合物的药物组合物的制备方法，中间体的制备和使用该化合物制造治疗药物，特别是用于治疗炎症，过敏和/或自身免疫疾病的药物。
• WO2007/144327
  申请人：——

  公开号：——

  公开（公告）日：——