5-氨基-1-(2-氟苯基)-1H-吡唑-4-羧酸 | 618091-61-5

• 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-氟苯基)-1H-吡唑-4-羧酸
• 英文名称: 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid
• 英文别名: 5-amino-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
• CAS: 618091-61-5
• 化学式: C₁₀H₈FN₃O₂
• mdl: MFCD02091506
• 分子量: 221.191
• InChiKey: ZHBRRQXKEBSCBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 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：
  81.1
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  (2R)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-pentanol 、 5-氨基-1-(2-氟苯基)-1H-吡唑-4-羧酸 生成 (2R)-5-amino-N-[4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1-(2-fluorophenyl)-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-氟苯基）-1H-吡唑-4-羧酸乙酯 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 5-氨基-1-(2-氟苯基)-1H-吡唑-4-羧酸
  参考文献：
  名称：

  5-Amino-pyrazoles as potent and selective p38α inhibitors

  摘要：

  The synthesis and structure-activity relationships (SAR) of p38 alpha MAP kinase inhibitors based on a 5-amino-pyrazole scaffold are described. These studies led to the identification of compound 2j as a potent and selective inhibitor of p38 alpha MAP kinase with excellent cellular potency toward the inhibition of TNF alpha production. Compound 2j was highly efficacious in vivo in inhibiting TNF alpha production in an acute murine model of TNF alpha production. X-ray co-crystallography of a 5-amino-pyrazole analog 2f bound to unphosphorylated p38 alpha is also disclosed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.034

文献信息

• ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：Dyckman Alaric J.

  公开号：US20100016320A1

  公开（公告）日：2010-01-21

  The present invention relates to compounds having the formula, and pharmaceutically-acceptable salts, prodrugs, solvates, isomers, and/or hydrates thereof, wherein Q is an optionally-substituted phenyl, pyridyl, pyridazinyl, pyrimidinyl, or pyrazinyl ring; R 2 is alkyl or an amino group as defined herein; and Z is optionally-substituted oxadiazolyl or —C(═O)NR 6 , wherein R 6 is lower alkyl or cyclopropyl. The compounds are surprisingly advantageous in preparing pharmaceutical compositions for treating p38 kinase related conditions and/or in methods of treating conditions associated with the activity of p38 kinase in a patient.

  本发明涉及具有以下式的化合物，以及其药学上可接受的盐、前药、溶剂化物、异构体和/或水合物，其中Q为可选择取代的苯基、吡啶基、吡嗪基、嘧啶基或吡嗪啉基环；R2为定义如下的烷基或氨基基团；Z为可选择取代的噁二唑基或—C(═O)NR6，其中R6为低烷基或环丙基。这些化合物在制备用于治疗与p38激酶相关的疾病的药物组合物和/或治疗患者与p38激酶活性相关的疾病的方法中具有惊人的优势。
• 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。
• Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：EP2133348A1

  公开（公告）日：2009-12-16

  The present invention relates to compounds having the formula, and pharmaceutically-acceptable salts, prodrugs, solvates, isomers, and/or hydrates thereof, wherein Q is an optionally-substituted phenyl, pyridyl, pyridazinyl, pyrimidinyl, or pyrazinyl ring; R2 is alkyl or an amino group as defined herein; and Z is optionally-substituted oxadiazolyl. The compounds are surprisingly advantageous in preparing medicaments for treating p38 kinase related conditions and/or in preparing medicaments for use in treating inflammatory disorders or conditions in a patient.

  本发明涉及具有以下式子的化合物、 及其药学上可接受的盐、原药、溶液剂、异构体和/或水合物，其中 Q 是任选取代的苯基、吡啶基、哒嗪基、嘧啶基或吡嗪基环；R2 是烷基或本文定义的氨基；Z 是任选取代的噁二唑基。这些化合物在制备治疗 p38 激酶相关病症的药物和/或制备用于治疗患者炎症性疾病或病症的药物方面具有惊人的优势。