5-Amino-1-butylpyrazole-4-carboxylic acid | 1259969-05-5

• 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-1-butylpyrazole-4-carboxylic acid
• 英文别名: 5-amino-1-butylpyrazole-4-carboxylic acid
• CAS: 1259969-05-5
• 化学式: C₈H₁₃N₃O₂
• 分子量: 183.21
• InChiKey: YEMOFSDCKGLAKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Ethyl 5-amino-1-butylpyrazole-4-carboxylate 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 5-Amino-1-butylpyrazole-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

• 5-Amino-pyrazoles as potent and selective p38α inhibitors
  作者：Jagabandhu Das、Robert V. Moquin、Alaric J. Dyckman、Tianle Li、Sidney Pitt、Rosemary Zhang、Ding Ren Shen、Kim W. McIntyre、Kathleen Gillooly、Arthur M. Doweyko、John A. Newitt、John S. Sack、Hongjian Zhang、Susan E. Kiefer、Kevin Kish、Murray McKinnon、Joel C. Barrish、John H. Dodd、Gary L. Schieven、Katerina Leftheris

  DOI：10.1016/j.bmcl.2010.10.034

  日期：2010.12

  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.