Example 2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Example 2
• 英文别名: N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide；N,4-dimethyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
• 化学式: C₂₀H₁₈N₆O
• 分子量: 358.403
• InChiKey: OYTBZXSFNNAVKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  84.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-N,4-二甲基苯甲酰胺 、 4-氯-1-苯基-1H-吡唑并[3,4-d]嘧啶 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以84%的产率得到Example 2
  参考文献：
  名称：

  [EN] PYRAZOLO-PYRIMIDINE ANILINE COMPOUNDS
  [FR] COMPOSES DE PYRAZOLO-PYRIMIDINE ANILINE

  摘要：

  具有式(I)的化合物，其中所有取代基如本文所定义，并且其药用可接受的盐、前药和溶剂化合物对于作为激酶抑制剂是有用的。

  公开号：

  WO2003099820A1

文献信息

• Pyrazolo-pyrimidines: A novel heterocyclic scaffold for potent and selective p38α inhibitors
  作者：Jagabandhu Das、Robert V. Moquin、Sidney Pitt、Rosemary Zhang、Ding Ren Shen、Kim W. McIntyre、Kathleen Gillooly、Arthur M. Doweyko、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.2008.03.019

  日期：2008.4

  The synthesis and structure-activity relationships ( SAR) of p38 alpha MAP kinase inhibitors based on a pyrazolo-pyrimidine scaffold are described. These studies led to the identification of compound 2x as a potent and selective inhibitor of p38 alpha MAP kinase with excellent cellular potency toward the inhibition of TNF alpha production. Compound 2x 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 pyrazolo-pyrimidine analog 2b bound to unphosphorylated p38 alpha is also disclosed. (C) 2008 Elsevier Ltd. All rights reserved.
• IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS
  申请人：CAMP4 THERAPEUTICS CORPORATION

  公开号：US20210254056A1

  公开（公告）日：2021-08-19

  The present invention provides methods and compositions for the evaluation, alteration and/or optimization of gene signaling. Methods and systems are also provided which exploit the information generated in the identification of new targets and non-canonical signaling pathways.