(1S,2R)-1-(3,6-diethyl-5-(4-methylpyridin-2-yloxy)pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol | 960056-10-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,2R)-1-(3,6-diethyl-5-(4-methylpyridin-2-yloxy)pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
• 英文别名: (1S,2R)-1-[[3,6-diethyl-5-(4-methylpyridin-2-yl)oxypyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
• CAS: 960056-10-4
• 化学式: C₂₃H₂₆N₄O₂
• 分子量: 390.485
• InChiKey: REIZDIHXIMBMRP-CTNGQTDRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  80.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1S,2R)-1-(3,6-diethyl-5-(4-methylpyridin-2-yloxy)pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 生成 N-((1S,2R)-2-ethoxy-2,3-dihydro-1H-inden-1-yl)-3,6-diethyl-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 (1S,2R)-1-(3,6-diethyl-5-(4-methylpyridin-2-yloxy)pyrazin-2-ylamino)-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