1-(2,4-dimethylbenzyl)piperazine

• 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: 1-(2,4-dimethylbenzyl)piperazine
• 英文别名: 1-[(2,4-Dimethylphenyl)methyl]piperazine
• 化学式: C₁₃H₂₀N₂
• mdl: MFCD05189148
• 分子量: 204.315
• InChiKey: AXSRHKKUUHRHNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 2-氯甲基-1,3-苯并噻唑 、 1-(2,4-dimethylbenzyl)piperazine 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以38%的产率得到benzo[d]thiazol-2-ylmethyl 4-(2,4-dimethylbenzyl)piperazine-1-carbodithioate
  参考文献：
  名称：

  Rational modifications, synthesis and biological evaluation of new potential antivirals for RSV designed to target the M2-1 protein

  摘要：

  Respiratory syncytial virus (RSV) is the main cause of lower respiratory tract diseases in infants and young children, with potentially serious and fatal consequences associated with severe infections. Despite extensive research efforts invested in the identification of therapeutic measures, no vaccine is currently available, while treatment options are limited to ribavirin and palivizumab, which both present significant limitations. While clinical and pre-clinical candidates mainly target the viral fusion protein, the nucleocapsid protein or the viral polymerase, our focus has been the identification of new antiviral compounds targeting the viral M2-1 protein, thanks to the presence of a zinc-ejecting group in their chemical structure. Starting from an anti-RSV hit we had previously identified with an in silico structure-based approach, we have designed, synthesised and evaluated a new series of dithiocarbamate analogues, with which we have explored the antiviral activity of this scaffold. The findings presented in this work may provide the basis for the identification of a new antiviral lead to treat RSV infections.

  DOI：

  10.1016/j.bmc.2020.115401
• 作为产物：
  描述：

  哌嗪 、 1-(氯甲基)-2,4-二甲苯 以 四氢呋喃 为溶剂， 反应 4.0h， 以76%的产率得到1-(2,4-dimethylbenzyl)piperazine
  参考文献：
  名称：

  Rational modifications, synthesis and biological evaluation of new potential antivirals for RSV designed to target the M2-1 protein

  摘要：

  Respiratory syncytial virus (RSV) is the main cause of lower respiratory tract diseases in infants and young children, with potentially serious and fatal consequences associated with severe infections. Despite extensive research efforts invested in the identification of therapeutic measures, no vaccine is currently available, while treatment options are limited to ribavirin and palivizumab, which both present significant limitations. While clinical and pre-clinical candidates mainly target the viral fusion protein, the nucleocapsid protein or the viral polymerase, our focus has been the identification of new antiviral compounds targeting the viral M2-1 protein, thanks to the presence of a zinc-ejecting group in their chemical structure. Starting from an anti-RSV hit we had previously identified with an in silico structure-based approach, we have designed, synthesised and evaluated a new series of dithiocarbamate analogues, with which we have explored the antiviral activity of this scaffold. The findings presented in this work may provide the basis for the identification of a new antiviral lead to treat RSV infections.

  DOI：

  10.1016/j.bmc.2020.115401

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：NUVATION BIO INC

  公开号：WO2020210377A1

  公开（公告）日：2020-10-15

  Heterocyclic compounds as Weel inhibitors are provided. The compounds may find use as therapeutic agents for the treatment of diseases and may find particular use in oncology.

  提供了杂环化合物作为Weel抑制剂。这些化合物可能作为治疗剂用于治疗疾病，并且可能在肿瘤学中发挥特殊作用。