(1R,2S)-1-((3,6-dimethyl-5-((4-methylpyridin-2-yl)oxy)pyrazin-2-yl)amino)-2,3-dihydro-1H-inden-2-ol | 960056-44-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,2S)-1-((3,6-dimethyl-5-((4-methylpyridin-2-yl)oxy)pyrazin-2-yl)amino)-2,3-dihydro-1H-inden-2-ol
• CAS: 960056-44-4
• 化学式: C₂₁H₂₂N₄O₂
• 分子量: 362.431
• InChiKey: ITMULNSDMXEYRP-PKOBYXMFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.16
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (1R,2S)-1-((3,6-dimethyl-5-((4-methylpyridin-2-yl)oxy)pyrazin-2-yl)amino)-2,3-dihydro-1H-inden-2-ol 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-((1R,2S)-2-isopropoxy-2,3-dihydro-1H-inden-1-yl)-3,6-dimethyl-5-(4-methylpyridin-2-yloxy)pyrazin-2-amine
  参考文献：
  名称：

  Heteroatom-linked indanylpyrazines are corticotropin releasing factor type-1 receptor antagonists

  摘要：

  Low nanomolar corticotropin releasing factor type-1 (CRF1) receptor antagonists containing unique indanylamines were identified from the heteroatom-linked pyrazine chemotype. The most potent indanylpyrazine had a K-i = 11 +/- 1 nM. The oxygen-linked pyrazinyl derivatives were prepared through a copper-catalyzed coupling of a pyridinone to a bromo- or iodopyrazine. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.008
• 作为产物：
  描述：

  2-羟基-4-甲基吡啶 、 alkaline earth salt of/the/ methylsulfuric acid 在 copper(l) iodide 、 caesium carbonate 、 N,N'-二甲基乙二胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (1R,2S)-1-((3,6-dimethyl-5-((4-methylpyridin-2-yl)oxy)pyrazin-2-yl)amino)-2,3-dihydro-1H-inden-2-ol
  参考文献：
  名称：

  Heteroatom-linked indanylpyrazines are corticotropin releasing factor type-1 receptor antagonists

  摘要：

  Low nanomolar corticotropin releasing factor type-1 (CRF1) receptor antagonists containing unique indanylamines were identified from the heteroatom-linked pyrazine chemotype. The most potent indanylpyrazine had a K-i = 11 +/- 1 nM. The oxygen-linked pyrazinyl derivatives were prepared through a copper-catalyzed coupling of a pyridinone to a bromo- or iodopyrazine. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.008