1-(Pyrrolidine-1-sulfonyl)piperazine | 923681-40-7

• 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-(Pyrrolidine-1-sulfonyl)piperazine
• 英文别名: 1-pyrrolidin-1-ylsulfonylpiperazine
• CAS: 923681-40-7
• 化学式: C₈H₁₇N₃O₂S
• mdl: MFCD08444720
• 分子量: 219.308
• InChiKey: FAIWKSJXVXAVTR-UHFFFAOYSA-N

物化性质

• 沸点：
  368.8±31.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  61
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1S,2R)-1-(3,4-dichlorophenyl)-2-hydroxymethylcyclopropanecarboxylic acid (4-fluorobenzyl)methylamide 、 1-(Pyrrolidine-1-sulfonyl)piperazine 生成 (1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-N-methyl-2-((4-(pyrrolidin-1-ylsulfonyl)piperazin-1-yl)methyl)cyclopropanecarboxamide
  参考文献：
  名称：

  Identification of a new series of non-peptidic NK3 receptor antagonists

  摘要：

  The identification and structure-activity relationships of 2-aminomethyl-1-aryl cyclopropane carboxamides as novel NK3 receptor antagonists are reported. The compound series was optimized to give analogues with low nanomolar binding to the NK3 receptor and brain exposure, leading to activity in vivo in the senktide-induced hypoactivity model in gerbils. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.135

文献信息

• [EN] PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS<br/>[FR] DÉRIVÉS DE PIPÉRAZINE UTILISÉS EN TANT QU'INHIBITEURS DE LA PROTÉASE DU VIH
  申请人：MERCK SHARP & DOHME

  公开号：WO2015017393A2

  公开（公告）日：2015-02-05

  The present invention is directed to piperazine derivatives, pharmaceutical compositions comprising the same, and their use in the inhibition of HIV protease, the inhibition of HIV replication, the prophylaxis of infection by HIV, the treatment of infection by HIV, and the prophylaxis, treatment, and delay in the onset or progression of AIDS.
• WO2023/69770
  申请人：——

  公开号：——

  公开（公告）日：——
• Identification of a new series of non-peptidic NK3 receptor antagonists
  作者：Karsten Juhl、Tore Hansen、Jan Kehler、Nikolay A. Khanzhin、Morten B. Nørgaard、Thomas Ruhland、Dorrit B. Larsen、Klaus G. Jensen、Björn Steiniger-Brach、Søren M. Nielsen、Klaus B. Simonsen

  DOI：10.1016/j.bmcl.2010.12.135

  日期：2011.3

  The identification and structure-activity relationships of 2-aminomethyl-1-aryl cyclopropane carboxamides as novel NK3 receptor antagonists are reported. The compound series was optimized to give analogues with low nanomolar binding to the NK3 receptor and brain exposure, leading to activity in vivo in the senktide-induced hypoactivity model in gerbils. (C) 2011 Elsevier Ltd. All rights reserved.