1-(6-chloro-2-pyridinyl)piperazine hydrochloride | 95884-49-4

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(6-chloro-2-pyridinyl)piperazine hydrochloride
• 英文别名: 6-Chloro-2-(1-piperazinyl)pyridine Hydrochloride；1-(6-Chloropyridin-2-yl)piperazine hydrochloride；1-(6-chloropyridin-2-yl)piperazine;hydrochloride
• CAS: 95884-49-4
• 化学式: C₉H₁₂ClN₃*ClH
• mdl: MFCD01756065
• 分子量: 234.128
• InChiKey: RUGNATCZWBPRAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.75
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  28.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,2S)-4-oxo-2-(thiophene-3-yl)cyclohexanecarboxylic acid 、 1-(6-chloro-2-pyridinyl)piperazine hydrochloride 在 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 (3S,4S)-4-(4-(6-chloropyridin-2-yl)piperazine-1-carbonyl)-3-(thiophen-3-yl)cyclohexan-1-one
  参考文献：
  名称：

  The discovery of potent antagonists of NPBWR1 (GPR7)

  摘要：

  The synthesis and evaluation of small molecule antagonists of the G protein-coupled receptor NPBWR1 (GPR7) are reported for the first time. [4-(5-Chloropyridin-2-yl)piperazin-1-yl][(1S,2S,4R)-4-{[(1R)-1-(4-methoxyphenyl)ethyl]amino}-2-(thiophen-3-yl)cyclohexyl]methanone (1) emerged as a hit from a high-throughput screen. Examination of substituents that focused on replacing the 5-chloropyridine and 4-methoxybenzylamino groups of 1 led to the identification of compounds that exhibited subnanomolar potencies as low as 660 pM (9k) in the functional assay and 200 pM in the binding assay (91). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.126
• 作为产物：
  描述：

  哌嗪 、 2,6-二氯吡啶 在 盐酸 作用下， 以 乙腈 为溶剂， 生成 1-(6-chloro-2-pyridinyl)piperazine hydrochloride
  参考文献：
  名称：

  Piperazinylpyridines

  摘要：

  公式为：##STR1## 的化合物及其N-氧化物和酸盐被披露为具有药理活性的厌食剂。

  公开号：

  US04078063A1

文献信息

• US4078063A
  申请人：——

  公开号：US4078063A

  公开（公告）日：1978-03-07
• The discovery of potent antagonists of NPBWR1 (GPR7)
  作者：F. Anthony Romero、Nicholas B. Hastings、Remond Moningka、Zhiqiang Guo、Ming Wang、Jerry Di Salvo、Ying Lei、Dorina Trusca、Qiaolin Deng、Vincent Tong、Jenna L. Terebetski、Richard G. Ball、Feroze Ujjainwalla

  DOI：10.1016/j.bmcl.2011.11.126

  日期：2012.1

  The synthesis and evaluation of small molecule antagonists of the G protein-coupled receptor NPBWR1 (GPR7) are reported for the first time. [4-(5-Chloropyridin-2-yl)piperazin-1-yl][(1S,2S,4R)-4-[(1R)-1-(4-methoxyphenyl)ethyl]amino}-2-(thiophen-3-yl)cyclohexyl]methanone (1) emerged as a hit from a high-throughput screen. Examination of substituents that focused on replacing the 5-chloropyridine and 4-methoxybenzylamino groups of 1 led to the identification of compounds that exhibited subnanomolar potencies as low as 660 pM (9k) in the functional assay and 200 pM in the binding assay (91). (C) 2011 Elsevier Ltd. All rights reserved.
• Piperazinylpyridines
  申请人：Merck & Co., Inc.

  公开号：US04078063A1

  公开（公告）日：1978-03-07

  Compounds of the formula: ##STR1## and their N-oxides and acid-addition salts are disclosed having pharmacological activity as anorexic agents.

  公式为：##STR1## 的化合物及其N-氧化物和酸盐被披露为具有药理活性的厌食剂。