N-(1-(3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl)-1H-indol-6-yl)acetamide | 1356563-77-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: N-(1-(3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl)-1H-indol-6-yl)acetamide
• 英文别名: N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
• CAS: 1356563-77-3
• 化学式: C₂₀H₁₇N₇O
• 分子量: 371.401
• InChiKey: DVDLZLUKYIFIOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5,7-二氯吡唑并[1,5-a]嘧啶-3-甲腈 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 0.5h， 生成 N-(1-(3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl)-1H-indol-6-yl)acetamide
  参考文献：
  名称：

  Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization

  摘要：

  In this paper we describe a series of 3-cyano-5-aryl-7-aminopyrazolo[1,5-a]-pyrimidine hits identified by kinase-focused subset screening as starting points for the structure-based design of conformationally constrained 6-acetamido-indole inhibitors of CK2. The synthesis, SAR, and effects of this novel series on Akt signaling and cell proliferation in vitro are described.

  DOI：

  10.1021/ml200257n

文献信息

• Host Kinase CSNK2 is a Target for Inhibition of Pathogenic SARS-like β-Coronaviruses
  作者：Xuan Yang、Rebekah J. Dickmander、Armin Bayati、Sharon A. Taft-Benz、Jeffery L. Smith、Carrow I. Wells、Emily A. Madden、Jason W. Brown、Erik M. Lenarcic、Boyd L. Yount、Edcon Chang、Alison D. Axtman、Ralph S. Baric、Mark T. Heise、Peter S. McPherson、Nathaniel J. Moorman、Timothy M. Willson

  DOI：10.1021/acschembio.2c00378

  日期：2022.7.15
• COMPOSITIONS AND METHODS FOR IDENTIFYING AND TREATING CONDITIONS INVOLVING HSF1 ACTIVITY
  申请人：Duke University

  公开号：EP3177310A1

  公开（公告）日：2017-06-14
• [EN] COMPOSITIONS AND METHODS FOR IDENTIFYING AND TREATING CONDITIONS INVOLVING HSF1 ACTIVITY<br/>[FR] COMPOSITIONS ET MÉTHODES D'IDENTIFICATION ET DE TRAITEMENT D'ÉTATS PATHOLOGIQUES IMPLIQUANT L'ACTIVITÉ HSF1
  申请人：UNIV DUKE

  公开号：WO2016022538A1

  公开（公告）日：2016-02-11

  Provided herein are methods for identifying and treating subjects having conditions involving reduced HSF1 activity (e.g., diminished HSF1 activity, diminished HSF1 protein levels, increased HSF1 Ser303 phosphorylation, increased HSF1 Ser307 phosphorylation) or conditions that benefit from increasing HSF1 abundance or activity beyond physiological levels.
• Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization
  作者：James E. Dowling、Claudio Chuaqui、Timothy W. Pontz、Paul D. Lyne、Nicholas A. Larsen、Michael H. Block、Huawei Chen、Nancy Su、Allan Wu、Daniel Russell、Hannah Pollard、John W. Lee、Bo Peng、Kumar Thakur、Qing Ye、Tao Zhang、Patrick Brassil、Vicki Racicot、Larry Bao、Christopher R. Denz、Emma Cooke

  DOI：10.1021/ml200257n

  日期：2012.4.12

  In this paper we describe a series of 3-cyano-5-aryl-7-aminopyrazolo[1,5-a]-pyrimidine hits identified by kinase-focused subset screening as starting points for the structure-based design of conformationally constrained 6-acetamido-indole inhibitors of CK2. The synthesis, SAR, and effects of this novel series on Akt signaling and cell proliferation in vitro are described.