1-(2-环己基乙基)-2-哌嗪酮 | 130328-11-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1-(2-环己基乙基)-2-哌嗪酮
• 英文名称: 1-(2-cyclohexylethyl)-2-piperazinone
• 英文别名: 1-(2-Cyclohexylethyl)piperazin-2-one
• CAS: 130328-11-9
• 化学式: C₁₂H₂₂N₂O
• 分子量: 210.319
• InChiKey: YZCHGNOMCSSQOI-UHFFFAOYSA-N

物化性质

• 沸点：
  363.9±35.0 °C(Predicted)
• 密度：
  1.001±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(carbobenzyloxy)-1-(2-cyclohexylethyl)-2-piperazinone 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以0.65 g的产率得到1-(2-环己基乙基)-2-哌嗪酮
  参考文献：
  名称：

  Cyclization-activated prodrugs. Basic esters of 5-bromo-2'-deoxyuridine

  摘要：

  Some 3'- and 5'-[[(alkylamino)ethyl]glycyl] esters of 5-bromo-2'-deoxyuridine were prepared and evaluated in vitro as progenitors of the parent alcohol. The esters proved to be relatively stable at low pH but released 5-bromo-2'-deoxyuridine cleanly at rates which were pH and structure dependent. These basic esters are examples of cyclization-activated prodrugs in which generation of active drug is not linked to enzymatic cleavage but rather results from an intramolecular cyclization-elimination reaction.

  DOI：

  10.1021/jm00171a038

文献信息

• [EN] CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RÉCEPTEURS DE CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2010107605A1

  公开（公告）日：2010-09-23

  Compounds of Formula (I) (wherein variables A1, A2, A3, ring-B, m, n, J, E1, E2, E3, R5, RPG and Y are as described herein), which are useful as antagonists of CGRP receptors, and useful in the treatment or prevention of diseases in which CGRP receptors are involved, such as headache, and in particular migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising the compounds of formula (I) and the use of these compounds and compositions in the prevention or treatment of diseases in which CGRP receptors are involved.

  公式（I）的化合物（其中变量A1、A2、A3、环B、m、n、J、E1、E2、E3、R5、RPG和Y如本文所述），这些化合物可用作CGRP受体的拮抗剂，并可用于治疗或预防涉及CGRP受体的疾病，如头痛，特别是偏头痛和群集性头痛。该发明还涉及包含公式（I）化合物的制药组合物以及在涉及CGRP受体的疾病的预防或治疗中使用这些化合物和组合物的用途。
• CGRP RECEPTOR ANTAGONISTS
  申请人：Stump Craig A.

  公开号：US20120010193A1

  公开（公告）日：2012-01-12

  Compounds of Formula (I) (wherein variables A 1 , A 2 , A 3 , ring-B, m, n, J, E 1 , E 2 , E 3 , R 5 , RPG and Y are as described herein), which are useful as antagonists of CGRP receptors, and useful in the treatment or prevention of diseases in which CGRP receptors are involved, such as headache, and in particular migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising the compounds of formula (I) and the use of these compounds and compositions in the prevention or treatment of diseases in which CGRP receptors are involved.

  公式（I）的化合物（其中变量A1，A2，A3，环B，m，n，J，E1，E2，E3，R5，RPG和Y如本文所述），其作为CGRP受体拮抗剂有用，并且在治疗或预防涉及CGRP受体的疾病方面有用，例如头痛，特别是偏头痛和集群头痛。本发明还涉及包含公式（I）化合物的制药组合物以及在预防或治疗涉及CGRP受体的疾病方面使用这些化合物和组合物。
• SAARI, WALFRED S.;SCHWERING, JOHN E.;LYLE, PAULETTE A.;SMITH, STEVEN J.;E+, J. MED. CHEM., 33,(1990) N, C. 2590-2595
  作者：SAARI, WALFRED S.、SCHWERING, JOHN E.、LYLE, PAULETTE A.、SMITH, STEVEN J.、E+

  DOI：——

  日期：——
• US20140275017A1
  申请人：——

  公开号：US20140275017A1

  公开（公告）日：2014-09-18
• US8778957B2
  申请人：——

  公开号：US8778957B2

  公开（公告）日：2014-07-15