N2-(3,5-dichloropyridin-2-yl)-3,6-diethyl-N5-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)pyrazine-2,5-diamine | 960056-29-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: N2-(3,5-dichloropyridin-2-yl)-3,6-diethyl-N5-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)pyrazine-2,5-diamine
• 英文别名: 5-N-(3,5-dichloropyridin-2-yl)-3,6-diethyl-2-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]pyrazine-2,5-diamine
• CAS: 960056-29-5
• 化学式: C₂₄H₂₆Cl₂FN₅O
• 分子量: 490.408
• InChiKey: WIMVCPNLHBNSFE-LEWJYISDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  72
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N2-(3,5-dichloropyridin-2-yl)-3,6-diethyl-N5-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)pyrazine-2,5-diamine 、 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 N2-(3,5-dichloropyridin-2-yl)-3,6-diethyl-N5-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)-N2-methylpyrazine-2,5-diamine
  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-氨基-3,5二氯吡啶 在 tris(dibenzylideneacetone)dipalladium (0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 N2-(3,5-dichloropyridin-2-yl)-3,6-diethyl-N5-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)pyrazine-2,5-diamine
  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

文献信息

• Heteroatom-linked indanylpyrazines are corticotropin releasing factor type-1 receptor antagonists
  作者：Jeffrey W. Corbett、Mark R. Rauckhorst、Fang Qian、Robert L. Hoffman、Christopher S. Knauer、Lawrence W. Fitzgerald

  DOI：10.1016/j.bmcl.2007.09.008

  日期：2007.11

  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.