4-chloro-1-ethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide | 1224047-86-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 英文名称: 4-chloro-1-ethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
• CAS: 1224047-86-2
• 化学式: C₁₃H₁₂ClN₅OS
• 分子量: 321.79
• InChiKey: OAORNZNPBGBOJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯-1-乙基-1H-吡唑[3,4-b]吡啶-5-羧酸乙酯 、 5-氨甲基噻唑 在 potassium hydroxide 、 三乙胺 、 N,N'-二异丙基碳二亚胺 作用下， 生成 4-chloro-1-ethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
  参考文献：
  名称：

  The identification a novel, selective, non-steroidal, functional glucocorticoid receptor antagonist

  摘要：

  The identification of novel, potent, non-steroidal/small molecule functional GR antagonist GSK1564023A selective over PR is described. Associated structure-activity relationships and the process of optimisation of an initial HTS hit are also described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.133

文献信息

• The identification a novel, selective, non-steroidal, functional glucocorticoid receptor antagonist
  作者：Joseph Rimland、Angela Dunne、Suchete S. Hunjan、Rosemary Sasse、Iain Uings、Dino Montanari、Matilde Caivano、Poonam Shah、David Standing、David Gray、David Brown、William Cairns、Ryan Trump、Paul W. Smith、Nicolas Bertheleme、Pier D’Alessandro、Sheraz Gul、Mythily Vimal、David N. Smith、Stephen P. Watson

  DOI：10.1016/j.bmcl.2010.01.133

  日期：2010.4

  The identification of novel, potent, non-steroidal/small molecule functional GR antagonist GSK1564023A selective over PR is described. Associated structure-activity relationships and the process of optimisation of an initial HTS hit are also described. (C) 2010 Elsevier Ltd. All rights reserved.