1H-indazol-5-yl(pyridin-4-yl)methanol | 1456540-32-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 1H-indazol-5-yl(pyridin-4-yl)methanol
• CAS: 1456540-32-1
• 化学式: C₁₃H₁₁N₃O
• 分子量: 225.25
• InChiKey: JHQPVQJTRZNVBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1H-indazol-5-yl(pyridin-4-yl)methanol 在 potassium phosphate 、 copper(l) iodide 、 四氯化钛 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 48.0h， 生成 3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2-dimethyl-3-(pyridin-4-yl)propanoic acid
  参考文献：
  名称：

  Discovery of potent and selective nonsteroidal indazolyl amide glucocorticoid receptor agonists

  摘要：

  Modification of a phenolic lead structure based on lessons learned from increasing the potency of steroidal glucocorticoid agonists lead to the discovery of exceptionally potent, nonsteroidal, indazole GR agonists. SAR was developed to achieve good selectivity against other nuclear hormone receptors with the ultimate goal of achieving a dissociated GR agonist as measured by human in vitro assays. The specific interactions by which this class of compounds inhibits GR was elucidated by solving an X-ray co-crystal structure. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2013.06.089

文献信息

• Discovery of potent and selective nonsteroidal indazolyl amide glucocorticoid receptor agonists
  作者：James E. Sheppeck、John L. Gilmore、Hai-Yun Xiao、T.G. Murali Dhar、David Nirschl、Arthur M. Doweyko、Jack S. Sack、Martin J. Corbett、Mary F. Malley、Jack Z. Gougoutas、Lorraine Mckay、Mark D. Cunningham、Sium F. Habte、John H. Dodd、Steven G. Nadler、John E. Somerville、Joel C. Barrish

  DOI：10.1016/j.bmcl.2013.06.089

  日期：2013.10

  Modification of a phenolic lead structure based on lessons learned from increasing the potency of steroidal glucocorticoid agonists lead to the discovery of exceptionally potent, nonsteroidal, indazole GR agonists. SAR was developed to achieve good selectivity against other nuclear hormone receptors with the ultimate goal of achieving a dissociated GR agonist as measured by human in vitro assays. The specific interactions by which this class of compounds inhibits GR was elucidated by solving an X-ray co-crystal structure. (C) 2013 Published by Elsevier Ltd.