3-硝基-6-哌嗪-1-基吡啶-2-胺 | 918531-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 3-硝基-6-哌嗪-1-基吡啶-2-胺
• 英文名称: 1-(5-nitro-6-amino-2-pyridinyl)piperazine
• 英文别名: 3-nitro-6-piperazin-1-ylpyridin-2-amine
• CAS: 918531-19-8
• 化学式: C₉H₁₃N₅O₂
• 分子量: 223.235
• InChiKey: KJKANSYFBQGJMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-硝基-6-哌嗪-1-基吡啶-2-胺 在 palladium on activated charcoal 甲酸 、 氢气 作用下， 以 甲醇 为溶剂， 生成 4-(5,6-diaminopyridine-2-yl)piperazine
  参考文献：
  名称：

  SAR of the arylpiperazine moiety of obeline somatostatin sst1 receptor antagonists

  摘要：

  The SAR of over 50 derivatives of octahydrobenzo[g]quinoline (obeline)-type somatostatin sst, receptor antagonist 1 is presented, focusing on the modification of its arylpiperazine moiety. sst(1) affinities in this series cover a range of five orders of magnitude with the best derivatives displaying subnanomolar sst, affinities and > 10,000-fold selectivities over the sst, receptor subtype as well as promising pharmacokinetic properties. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.078
• 作为产物：
  描述：

  1-[4-(6-Amino-5-nitropyridin-2-yl)piperazin-1-yl]ethanone 在 盐酸 作用下， 生成 3-硝基-6-哌嗪-1-基吡啶-2-胺
  参考文献：
  名称：

  SAR of the arylpiperazine moiety of obeline somatostatin sst1 receptor antagonists

  摘要：

  The SAR of over 50 derivatives of octahydrobenzo[g]quinoline (obeline)-type somatostatin sst, receptor antagonist 1 is presented, focusing on the modification of its arylpiperazine moiety. sst(1) affinities in this series cover a range of five orders of magnitude with the best derivatives displaying subnanomolar sst, affinities and > 10,000-fold selectivities over the sst, receptor subtype as well as promising pharmacokinetic properties. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.078

文献信息

• Ge, Hai-Xia; Wang, Li-Chen; Jiang, Zhen-Zhou, Arzneimittel-Forschung/Drug Research, 2006, vol. 56, # 10, p. 673 - 677
  作者：Ge, Hai-Xia、Wang, Li-Chen、Jiang, Zhen-Zhou、Ni, Sheng-Liang

  DOI：——

  日期：——
• SAR of the arylpiperazine moiety of obeline somatostatin sst1 receptor antagonists
  作者：Konstanze Hurth、Albert Enz、Philipp Floersheim、Conrad Gentsch、Daniel Hoyer、Daniel Langenegger、Peter Neumann、Paul Pfäffli、Dieter Sorg、Robert Swoboda、Annick Vassout、Thomas Troxler

  DOI：10.1016/j.bmcl.2007.04.078

  日期：2007.7

  The SAR of over 50 derivatives of octahydrobenzo[g]quinoline (obeline)-type somatostatin sst, receptor antagonist 1 is presented, focusing on the modification of its arylpiperazine moiety. sst(1) affinities in this series cover a range of five orders of magnitude with the best derivatives displaying subnanomolar sst, affinities and > 10,000-fold selectivities over the sst, receptor subtype as well as promising pharmacokinetic properties. (C) 2007 Elsevier Ltd. All rights reserved.