3a-methyl-5-[4-nitro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-3H-imidazo[1,5-b]pyrazole-4,6-dione | 914928-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3a-methyl-5-[4-nitro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-3H-imidazo[1,5-b]pyrazole-4,6-dione
• CAS: 914928-69-1
• 化学式: C₁₄H₈F₆N₄O₄
• 分子量: 410.232
• InChiKey: PKSJTBLLAZZQMG-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：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  98.8
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  3-methyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazole-3-carbothioic acid (4-nitro-3-trifluoromethyl-phenyl)-amide 、 三光气 在 三乙胺 作用下， 反应 2.0h， 生成 3a-methyl-5-[4-nitro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-3H-imidazo[1,5-b]pyrazole-4,6-dione
  参考文献：
  名称：

  Synthesis and SAR of novel hydantoin derivatives as selective androgen receptor modulators

  摘要：

  A novel series of hydantoin derivatives were identified by in vivo studies as tissue selective androgen receptor modulators. SAR around this series revealed that the function of the ligand could be altered by minor structural modification. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.084

文献信息

• Synthesis and SAR of novel hydantoin derivatives as selective androgen receptor modulators
  作者：Xuqing Zhang、George F. Allan、Tifanie Sbriscia、Olivia Linton、Scott G. Lundeen、Zhihua Sui

  DOI：10.1016/j.bmcl.2006.08.084

  日期：2006.11

  A novel series of hydantoin derivatives were identified by in vivo studies as tissue selective androgen receptor modulators. SAR around this series revealed that the function of the ligand could be altered by minor structural modification. (c) 2006 Elsevier Ltd. All rights reserved.