5-(methylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid | 796070-71-8

• 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-(methylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid
• 英文别名: 5-(Methylamino)-1-phenylpyrazole-4-carboxylic acid
• CAS: 796070-71-8
• 化学式: C₁₁H₁₁N₃O₂
• 分子量: 217.227
• InChiKey: CYDKJASZMLIEMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-(methylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 5-(methylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid
  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

• [EN] ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS<br/>[FR] COMPOSES DE PYRAZOLE-AMIDE SUBSTITUES PAR ARYLE UTILISES COMME INHIBITEURS DE LA KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004099156A1

  公开（公告）日：2004-11-18

  The present invention relates to compounds having the formula (I), 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 or -C(=O)NR6, wherein R6 is lower alkyl or cyclopropyl. 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.

  本发明涉及具有式（I）的化合物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为在此定义的烷基或氨基团；Z为可选择取代的噁二唑基或-C（=O）NR6，其中R6为较低的烷基或环丙基。这些化合物在制备用于治疗p38激酶相关疾病和/或制备用于治疗患者的炎症性疾病或病症的药物方面具有惊人的优势。
• Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors
  申请人：Dyckman J. Alaric

  公开号：US20050159424A1

  公开（公告）日：2005-07-21

  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.

  本发明涉及具有下列式的化合物，以及其药学上可接受的盐、前药、溶剂化合物、异构体和/或水合物，其中Q是可选择取代的苯基、吡啶基、吡嗪基、嘧啶基或吡嗪啉基环；R2是如下所定义的烷基或氨基；Z是可选择取代的噁二唑基或—C(═O)NR6，其中R6是低烷基或环丙基。这些化合物在制备用于治疗与p38激酶相关的病症的药物组合物方面具有惊人的优势，或者在治疗患者p38激酶活性相关病症的方法中具有惊人的优势。
• 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。
• EP1618092A1
  申请人：——

  公开号：EP1618092A1

  公开（公告）日：2006-01-25
• EP1618092A4
  申请人：——

  公开号：EP1618092A4

  公开（公告）日：2008-08-20