2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine
• 英文别名: 2-[2-(3,4-dichlorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
• 化学式: C₁₅H₂₀Cl₂N₂
• 分子量: 299.243
• InChiKey: IGVDQXLOMXGWKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-[2-(3,4-Dichloro-phenyl)-ethyl]-hexahydro-pyrrolo[1,2-a]pyrazin-1-one 在 chlorohydroalane 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine
  参考文献：
  名称：

  螺β-内酰胺异常重排为1,4-二氮杂双环[4,4,0]癸烷和1,4-二氮杂双环[4,3,0]壬烷。构象受限的σ受体配体的合成

  摘要：

  1，4-二氮杂双环[4,4,0]癸烷和1,4-二氮杂双环[4,3,0]壬烷的合成是通过使用4-甲酰基螺β-内酰胺作为容易获得的起始原料而实现的。此外，还进行了该方案在构象受限的σ-受体配体的制备中的应用。为了对反应机理有一些了解，对模型反应进行了理论计算。

  DOI：

  10.1016/j.tetlet.2004.04.109

文献信息

• Use of Sigma-1 receptor agonist compounds
  申请人：MTA TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA

  公开号：US10842794B2

  公开（公告）日：2020-11-24

  Compositions and methods for the prevention, inhibition, and/or treatment of progressive fibrosis present in various fibroproliferative disorders. Embodiments relate to the use of Sigma-1 receptor agonists for use in the treatment of prevention of progressive fibrosis characterized by the over proliferation of ECM producing cells, e.g. myofibroblasts and by the excessive deposition of ECM components in a medical or disease condition. Preferred Sigma-1 agonists are disclosed.

  用于预防、抑制和/或治疗各种纤维增生性疾病中出现的进行性纤维化的组合物和方法。本发明的实施方案涉及 Sigma-1 受体激动剂在治疗和预防进行性纤维化方面的用途，进行性纤维化的特征是产生 ECM 的细胞（如肌成纤维细胞）过度增殖，以及医疗或疾病条件下 ECM 成分的过度沉积。本文公开了优选的 Sigma-1 激动剂。
• NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS
  申请人：MTA TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA

  公开号：US20190209575A1

  公开（公告）日：2019-07-11

  Compositions and methods for the prevention, inhibition, and/or treatment of progressive fibrosis present in various fibroproliferative disorders. Embodiments relate to the use of Sigma-1 receptor agonists for use in the treatment of prevention of progressive fibrosis characterized by the over proliferation of ECM producing cells, e.g. myofibroblasts and by the excessive deposition of ECM components in a medical or disease condition. Preferred Sigma-1 agonists are disclosed.
• Unusual rearrangement of spiro β-lactams to 1,4-diazabicyclo[4,4,0]decanes and 1,4-diazabicyclo[4,3,0]nonanes. Synthesis of conformationally restricted σ-receptor ligands
  作者：Alberto Macı́as、Eduardo Alonso、Carlos del Pozo、Javier González

  DOI：10.1016/j.tetlet.2004.04.109

  日期：2004.6

  Synthesis of 1,4-diazabicyclo[4,4,0]decanes and 1,4-diazabicyclo[4,3,0]nonanes was achieved by using 4-formyl spiro β-lactams as easily available starting materials. Furthermore, the application of this protocol to the preparation of conformationally restricted σ-receptor ligands was also performed. Theoretical calculations were carried out on a model reaction, in order to give some understanding of

  1，4-二氮杂双环[4,4,0]癸烷和1,4-二氮杂双环[4,3,0]壬烷的合成是通过使用4-甲酰基螺β-内酰胺作为容易获得的起始原料而实现的。此外，还进行了该方案在构象受限的σ-受体配体的制备中的应用。为了对反应机理有一些了解，对模型反应进行了理论计算。