N-(6-(3-(cyclopropanesulfonamido)phenyl)-1H-indazol-3-yl)cyclopropanecarboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(6-(3-(cyclopropanesulfonamido)phenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
• 英文别名: N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
• 化学式: C₂₀H₂₀N₄O₃S
• 分子量: 396.47
• InChiKey: HJDMEPOCEJXNJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-溴-1H-吲唑-3-胺 在 吡啶 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 N-(6-(3-(cyclopropanesulfonamido)phenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
  参考文献：
  名称：

  SGC-AAK1-1: A Chemical Probe Targeting AAK1 and BMP2K

  摘要：

  Inhibitors based on a 3-acylaminoindazole scaffold were synthesized to yield potent dual AAK1/BMP2K inhibitors. Optimization furnished a small molecule chemical probe (SGC-AAK1-1, 25) that is potent and selective for AAK1/BMP2K over other NAK family members, demonstrates narrow activity in a kinome-wide screen, and is functionally active in cells. This inhibitor represents one of the best available small molecule tools to study the functions of AAK1 and BMP2K.

  DOI：

  10.1021/acsmedchemlett.9b00399

文献信息

• SGC-AAK1-1: A Chemical Probe Targeting AAK1 and BMP2K
  作者：Carrow Wells、Rafael M. Couñago、Juanita C. Limas、Tuanny L. Almeida、Jeanette Gowen Cook、David H. Drewry、Jonathan M. Elkins、Opher Gileadi、Nirav R. Kapadia、Alvaro Lorente-Macias、Julie E. Pickett、Alexander Riemen、Roberta R. Ruela-de-Sousa、Timothy M. Willson、Cunyu Zhang、William J. Zuercher、Reena Zutshi、Alison D. Axtman

  DOI：10.1021/acsmedchemlett.9b00399

  日期：2020.3.12

  Inhibitors based on a 3-acylaminoindazole scaffold were synthesized to yield potent dual AAK1/BMP2K inhibitors. Optimization furnished a small molecule chemical probe (SGC-AAK1-1, 25) that is potent and selective for AAK1/BMP2K over other NAK family members, demonstrates narrow activity in a kinome-wide screen, and is functionally active in cells. This inhibitor represents one of the best available small molecule tools to study the functions of AAK1 and BMP2K.