2-chloro-4-(2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-hydroxyethyl)benzonitrile | 1227795-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-chloro-4-(2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-hydroxyethyl)benzonitrile
• 英文别名: 2-fluoro-5-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]benzonitrile
• CAS: 1227795-83-6
• 化学式: C₂₂H₁₂F₅N₃O
• 分子量: 429.349
• InChiKey: DXRCWRDHBIVBIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  、 (三氟甲基)三甲基硅烷 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 2-chloro-4-(2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-hydroxyethyl)benzonitrile
  参考文献：
  名称：

  5-Functionalized indazoles as glucocorticoid receptor agonists

  摘要：

  An indazole based series of glucocorticoid receptor agonists is reported. The SAR exploration of this scaffold yielded compounds with nanomolar affinity for the glucocorticoid receptor with indications of selectivity for the preferred transrepression mechanism; in vivo efficacy was observed in the mouse LPS induced TNF alpha model for compound 28. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.012

文献信息

• 5-Functionalized indazoles as glucocorticoid receptor agonists
  作者：Mei Bai、Grant Carr、Russell J. DeOrazio、Thomas D. Friedrich、Svetlana Dobritsa、Kevin Fitzpatrick、Peter R. Guzzo、Douglas B. Kitchen、Michael A. Lynch、Denise Peace、Mohammed Sajad、Alexander Usyatinsky、Mark A. Wolf

  DOI：10.1016/j.bmcl.2010.04.012

  日期：2010.5

  An indazole based series of glucocorticoid receptor agonists is reported. The SAR exploration of this scaffold yielded compounds with nanomolar affinity for the glucocorticoid receptor with indications of selectivity for the preferred transrepression mechanism; in vivo efficacy was observed in the mouse LPS induced TNF alpha model for compound 28. (C) 2010 Elsevier Ltd. All rights reserved.