2-(4-(3-Methoxyphenyl)piperazin-1-yl)ethan-1-ol | 118161-85-6

• 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: 2-(4-(3-Methoxyphenyl)piperazin-1-yl)ethan-1-ol
• 英文别名: 2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
• CAS: 118161-85-6
• 化学式: C₁₃H₂₀N₂O₂
• mdl: MFCD12423050
• 分子量: 236.314
• InChiKey: HXOPOOCWOIFSOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  35.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-(3-Methoxyphenyl)piperazin-1-yl)ethan-1-ol 在 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以37%的产率得到1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine
  参考文献：
  名称：

  Synthesis of a novel series of 4-arylpiperazinyl derivatives linked to a 2-(pyridin-3-yl)-1H-benzimidazole as new Delavirdine analogues

  摘要：

  The synthesis of a series of substituted arylpiperazines linked to a 2-(pyridin-3-yl)-1H-benzo[d]imidazole scaffold through an alkylic linker is reported. The novel 1-(2-(4-arylpiperazin-1-yl)alkyl)-2-(pyridin-3-yl)-1H-benzimidazole derivatives are structurally related to the anti-HIV-1 drug Delavirdine and belong to the bis(heteroaryl)piperazines family (BHAPs), a well known HIV-1 reverse transcriptase inhibitors group.

  DOI：

  10.1590/s0103-50532010000100011
• 作为产物：
  描述：

  1-(3-甲氧基苯基)哌嗪 、 2-溴乙醇 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 2-(4-(3-Methoxyphenyl)piperazin-1-yl)ethan-1-ol
  参考文献：
  名称：

  Synthesis of a novel series of 4-arylpiperazinyl derivatives linked to a 2-(pyridin-3-yl)-1H-benzimidazole as new Delavirdine analogues

  摘要：

  The synthesis of a series of substituted arylpiperazines linked to a 2-(pyridin-3-yl)-1H-benzo[d]imidazole scaffold through an alkylic linker is reported. The novel 1-(2-(4-arylpiperazin-1-yl)alkyl)-2-(pyridin-3-yl)-1H-benzimidazole derivatives are structurally related to the anti-HIV-1 drug Delavirdine and belong to the bis(heteroaryl)piperazines family (BHAPs), a well known HIV-1 reverse transcriptase inhibitors group.

  DOI：

  10.1590/s0103-50532010000100011

文献信息

• [EN] POLYCYCLIC LIGANDS OF 5-HT7 RECEPTOR AND USE THEREOF<br/>[FR] LIGANDS POLYCYCLIQUES DU RÉCEPTEUR 5-HT7 ET LEUR UTILISATION
  申请人：BIOFORDRUG S R L

  公开号：WO2014079504A1

  公开（公告）日：2014-05-30

  The invention relates to a new class of compounds able to bind with high affinity and selectivity the 5-HT7 receptor. The invention also relates to the utilization of such compounds as medicaments useful in the treatment and prevention of 5-HT7 receptor relating disorders of the central nervous system. The invention also relates to the isotopically labeled compounds for use in vivo diagnosis or imaging of a 5-HT7 condition.

  该发明涉及一类新的化合物，能够与5-HT7受体高亲和力和选择性地结合。该发明还涉及将这些化合物用作药物，用于治疗和预防中枢神经系统与5-HT7受体相关的疾病。该发明还涉及同位素标记的化合物，用于体内诊断或成像5-HT7受体相关疾病。