5-氨基-1-(2,4-二氟苯基)-1H-吡唑-4-羧酸 | 918405-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-氨基-1-(2,4-二氟苯基)-1H-吡唑-4-羧酸
• 英文名称: 5-amino-1-(2,4-difluorophenyl)-1H-pyrazole-4-carboxylic acid
• 英文别名: 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid
• CAS: 918405-21-7
• 化学式: C₁₀H₇F₂N₃O₂
• mdl: MFCD03407405
• 分子量: 239.181
• InChiKey: BMZMLHXRADPUBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 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：
  81.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2R)-2-(aminomethyl)-1,1,1-trifluoro-4-[5-fluoro-2-(methyloxy)phenyl]-4-methyl-2-pentanol 、 5-氨基-1-(2,4-二氟苯基)-1H-吡唑-4-羧酸 生成 (2R)-5-amino-1-(2,4-difluorophenyl)-N-[4-[5-fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  Phenyl-Pyrazole Derivatives as Non-Steroidal Glucocorticoid Receptor Ligands

  摘要：

  化合物的化学式为(I)：其中A代表2,3-二氢-1-苯并呋喃-7-基、5-氟-2-甲氧基苯基或5-氟-2-羟基苯基；R1和R2各自独立地代表氢、氟或氯；或其生理学功能衍生物。

  公开号：

  US20080207725A1
• 作为产物：
  描述：

  5-氨基-1-(2,4-二氟苯基)-1H-吡唑-4-羧酸乙酯 在 sodium hydroxide 、 乙醇 、 水 、 盐酸 作用下， 以 水 为溶剂， 反应 2.5h， 生成 5-氨基-1-(2,4-二氟苯基)-1H-吡唑-4-羧酸
  参考文献：
  名称：

  WO2007/334

  摘要：

  公开号：

文献信息

• Tetrahydronaphthalenylamides, a process for their production and their use as anti-inflammatory agents
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1958934A1

  公开（公告）日：2008-08-20

  The present invention relates to the compounds of formula I, processes for their production and their use as anti-inflammatory agents.

  本发明涉及公式I的化合物，其制备过程以及作为抗炎剂的用途。
• 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 agonists—The discovery of aryl pyrazoles as A-ring mimetics
  作者：Margaret Clackers、Diane M. Coe、Derek A. Demaine、George W. Hardy、Davina Humphreys、Graham G.A. Inglis、Michael J. Johnston、Haydn T. Jones、David House、Richard Loiseau、Doug J. Minick、Philip A. Skone、Iain Uings、Iain M. McLay、Simon J.F. Macdonald

  DOI：10.1016/j.bmcl.2007.06.066

  日期：2007.9

  Starting from an established series of non-steroidal glucocorticoid receptor (GR) agonists, a large array was designed where a metabolically labile benzoxazinone moiety was replaced. Initial hits bound to GR but lacked agonist activity. Following two further iterations, potent GR agonists were discovered with 20D1E1 having NF kappa B agonism pIC(50) 8-8 (103%). Other analogues such as 23D1E1 display a dissociated profile (NF kappa B pIC(50) 8.1 (103%), MMTV pEC(50) 7.02 (36%)). The tetrahydronaphthalene moiety can also be replaced with substituted aryls such as 24E1 and 25E1. (c) 2007 Elsevier Ltd. All rights reserved.