trifluoro-methanesulfonic acid 6-ethyl-1-(1-ethyl-propyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-5-yl ester | 848948-20-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡嗪类
• 英文名称: trifluoro-methanesulfonic acid 6-ethyl-1-(1-ethyl-propyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-5-yl ester
• 英文别名: trifluoro-methanesulfonic acid 6-ethyl-1-(1-ethyl-propyl)-3-methyl-1 H-pyrazolo[3,4-b]pyrazin-5-yl ester；(6-ethyl-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-5-yl) trifluoromethanesulfonate
• CAS: 848948-20-9
• 化学式: C₁₄H₁₉F₃N₄O₃S
• 分子量: 380.391
• InChiKey: MCYVNNPUSZWZPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  95.4
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  三氟甲磺酸酐 、 trifluoro-methanesulfonic acid 6-ethyl-1-(1-ethyl-propyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-5-yl ester 以In a manner analogous to step D, 6-ethyl-1-(1-ethyl-propyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-5-ol (3.9 g) and trifluoromethanesulfonic anhydride (4.22 mL) afford trifluoro-methanesulfonic acid 6-ethyl-1-(1-ethyl-propyl)-3-methyl-1 H-pyrazolo[3,4-b]pyrazin-5-yl ester的产率得到6-ethyl-1-(1-ethyl-propyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-5-ol
  参考文献：
  名称：

  5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds

  摘要：

  本发明提供了5-芳基吡唑并[4,3-d]嘧啶、6-芳基吡唑并[3,4-d]嘧啶及其相关化合物，以及其他化学相关化合物，它们作为选择性CRF1受体调节剂。这些化合物在治疗许多中枢神经系统和周围疾病，特别是压力、焦虑、抑郁、心血管疾病和进食障碍方面非常有用。本发明还提供了治疗这些疾病的方法以及包装的制药组合物。本发明的化合物还可用作CRF受体定位的探针和CRF受体结合测定的标准。本发明还提供了使用这些化合物进行受体定位研究的方法。

  公开号：

  US20050070542A1

文献信息

• 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS
  申请人：NEUROGEN CORPORATION

  公开号：EP1675858A2

  公开（公告）日：2006-07-05
• [EN] 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS<br/>[FR] 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, ET PYRAZINES ET COMPOSES ASSOCIES
  申请人：NEUROGEN CORP

  公开号：WO2005028480A2

  公开（公告）日：2005-03-31

  5-aryl-Pyrazolo[4,3-d] pyrimidines, 6-aryl-Pyrazolo[3,4-d]pyrimidines and related compounds, as well as other chemically related compounds, that act as selective modulators of CRF 1 receptors are provided. These compounds are useful in the treatment of a number of CNS and periphereal disorders, particularly stress, anxiety, depression, cardiovascular disorders, and eating disorders. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of CRF receptors and as standards in assays for CRIF receptor binding. Methods of using the compounds in receptor localization studies are given.