3-(4-氟苯)哌嗪-2-酮 | 85606-96-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 3-(4-氟苯)哌嗪-2-酮
• 英文名称: 3-(4-fluorophenyl)-piperazin-2-one
• 英文别名: (RS)-2-(4-fluorophenyl)-3-oxo-piperazine；3-(4-Fluorophenyl)piperazin-2-one
• CAS: 85606-96-8
• 化学式: C₁₀H₁₁FN₂O
• 分子量: 194.209
• InChiKey: WAKCIILEYAIXOR-UHFFFAOYSA-N

物化性质

• 沸点：
  393.6±42.0 °C(Predicted)
• 密度：
  1.188±0.06 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：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-氟苯)哌嗪-2-酮 在 盐酸 作用下， 反应 15.0h， 以72%的产率得到2-(N-(2-aminoethyl)amino)-2-(4-fluorophenyl)acetic acid dihydrochloride
  参考文献：
  名称：

  Beyerle; Bohn; Schonafinger, Arzneimittel-Forschung/Drug Research, 1985, vol. 35, # 1, p. 93 - 102

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(4-fluorophenyl)-5,6-dihydropyrazin-2(1H)-one 生成 3-(4-氟苯)哌嗪-2-酮
  参考文献：
  名称：

  2-(aryl substitued)piperazinones and nootropic compositions based thereon

  摘要：

  芳基取代哌嗪酮及其生理上可接受的酸盐具有有用的智力增强作用。它们以常规剂型肠内或静脉内给药。

  公开号：

  US04598079A1

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。
• Chemical compounds
  申请人：——

  公开号：US20030028021A1

  公开（公告）日：2003-02-06

  The invention relates to piperazine derivatives, to processes for their preparation, to pharmaceutical compositions containing them, and to their medical use. The novel compounds are antagonists of tachykinins, including substance P and other neurokinins.

  本发明涉及哌嗪衍生物、其制备方法、包含它们的制药组合物以及它们的医疗用途。这些新化合物是缓解速激肽素（包括物质P和其他神经激肽素）的拮抗剂。
• Pyridine and pyrimidine derivatives
  申请人：Davis Martin Jeremy

  公开号：US20050080258A1

  公开（公告）日：2005-04-14

  Compounds of formula (1) are described in which R a and R b is each independently a hydrogen atom or a group R c , or R a and R b together form an oxo (═O) or thio (═S) group; X is a N atom or an optionally substituted CH group: Y is a —O— or —S— atom or —SO— or —SO 2 — group or an optionally substituted —CH 2 — or —NH— group with the proviso that when R a and R b together form an oxo (═O) or thio (═S) group Y is an optionally substituted —CH 2 — or —NH-group; L 1 is a covalent bond or a linker atom or group; p is zero or the integer 1; Alk 1 is an optionally substituted C 1-10 aliphatic or C 1-10 heteroaliphatic chain; n is zero the integer 1, 2 or 3 with the proviso that when n is zero Y is an optionally substituted —CH 2 — group: Ar is an optionally substituted C 6-12 aromatic or C 1-9 heteroaromatic group; m is zero or the integer 1, 2 or 3; q is zero or the integer 1 or 2; R 1 , R c and R d are hydrogen atoms or the substituents described in the patent specification; and the salts, solvates, hydrates and N-oxides thereof. The compounds are potent and selective inhibitors of p38 kinase and are useful in the treatment of immune or inflammatory disorders.

  公式（1）的化合物如下所述：其中Ra和Rb分别独立地是氢原子或基团Rc，或者Ra和Rb共同形成氧（═O）或硫（═S）基团；X是N原子或可选取代的CH基团；Y是—O—或—S—原子或—SO—或—SO2—基团或可选取代的—CH2—或—NH—基团，但当Ra和Rb共同形成氧（═O）或硫（═S）基团时，Y是可选取代的—CH2—或—NH—基团；L1是共价键或连接原子或基团；p为零或整数1；Alk1是可选取代的C1-10脂肪或C1-10杂脂肪链；n为零或整数1、2或3，但当n为零时，Y是可选取代的—CH2—基团；Ar是可选取代的C6-12芳香或C1-9杂芳基团；m为零或整数1、2或3；q为零或整数1或2；R1、Rc和Rd是氢原子或专利说明书中描述的取代基；以及其盐、溶剂化合物、水合物和N-氧化物。这些化合物是p38激酶的有效选择性抑制剂，可用于治疗免疫或炎症性疾病。
• Chemical Compounds
  申请人：Alvaro Giuseppe

  公开号：US20080249108A1

  公开（公告）日：2008-10-09

  The invention relates to methods for the treatment of medical conditions comprising administering an effective amount of a compound of formula (I): wherein all variables are as defined herein.

  本发明涉及治疗医疗状况的方法，包括给予公式（I）化合物的有效量：其中所有变量在此定义。
• 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。