1-(2-oxo-5-phenylpiperazin-1-yl)cyclopropanecarboxylic acid hydrochloride | 957122-41-7

• 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: 1-(2-oxo-5-phenylpiperazin-1-yl)cyclopropanecarboxylic acid hydrochloride
• 英文别名: 1-(2-oxo-5-phenylpiperazin-1-yl)cyclopropane-1-carboxylic acid;hydrochloride
• CAS: 957122-41-7
• 化学式: C₁₄H₁₆N₂O₃*ClH
• 分子量: 296.754
• InChiKey: OTPZUAORENQQBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-oxo-5-phenylpiperazin-1-yl)cyclopropanecarboxylic acid hydrochloride 、 3-Amino-5,7-dihydrospiro[cyclopenta[b]pyridine-6,2'-pyrido[3,2-b][1,4]oxazine]-3'(4'H)-thione 、 O-(7-azabenzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate 、 N-甲基吗啉 在 水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 1-(2-Oxo-5-phenylpiperazin-1-yl)-N-(3'-thioxo-3',4',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,2'-pyrido[3,2-b][1,4]oxazin]-3-yl)cyclopropanecarboxamide
  参考文献：
  名称：

  CGRP RECEPTOR ANTAGONISTS

  摘要：

  化合物的公式（I），其中变量A1，A2，A3，A4，A5，A6，A7，A8，L，J，Q，R4，Ea，Eb，Ec，R6，R7，Re，Rf，RPG，W，Y和Z如本文所述，可用作CGRP受体的拮抗剂，并且在预防或治疗CGRP受体所涉及的疾病，例如头痛，特别是偏头痛和集群头痛方面具有用处。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗CGRP受体所涉及的这些疾病方面使用这些化合物和组合物。

  公开号：

  US20110224201A1
• 作为产物：
  描述：

  ethyl 1-(2-oxo-5-phenylpiperazin-1-yl)cyclopropane-1-carboxylate 在 lithium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 18.0h， 生成 1-(2-oxo-5-phenylpiperazin-1-yl)cyclopropanecarboxylic acid hydrochloride
  参考文献：
  名称：

  Substituted monocyclic CGRP receptor antagonists

  摘要：

  式I的化合物：(其中变量A1、A2、A3、A4、m、n、J、Q、R4、Ea、Eb、Ec、R6、R7、Re、Rf、RPG和Y如本文所述)是CGRP受体拮抗剂，可用于治疗或预防涉及CGRP的疾病，如偏头痛。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及CGRP的疾病中使用这些化合物和组合物。

  公开号：

  US20070265225A1

文献信息

• CGRP RECEPTOR ANTAGONISTS
  申请人：Staas Donnette D.

  公开号：US20110224201A1

  公开（公告）日：2011-09-15

  Compounds of Formula (I), (wherein variables A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , A 7 , A 8 , L, J, Q, R 4 , E a , E b , E c , R 6 , R 7 , R e , R f , R PG , W, Y and Z are as described herein) 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 these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP receptors are involved.

  化合物的公式（I），其中变量A1，A2，A3，A4，A5，A6，A7，A8，L，J，Q，R4，Ea，Eb，Ec，R6，R7，Re，Rf，RPG，W，Y和Z如本文所述，可用作CGRP受体的拮抗剂，并且在预防或治疗CGRP受体所涉及的疾病，例如头痛，特别是偏头痛和集群头痛方面具有用处。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗CGRP受体所涉及的这些疾病方面使用这些化合物和组合物。
• [EN] CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2010039673A1

  公开（公告）日：2010-04-08

  Compounds of Formula (I), (wherein variables A1, A2, A3, A4, A5, A6, A7, A8, L, J, Q, R4, Ea, Eb, Ec, R6, R7, Re, Rf, RPG, W, Y and Z are as described herein) 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 these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP receptors are involved.
• Substituted monocyclic CGRP receptor antagonists
  申请人：Wood Michael R.

  公开号：US20070265225A1

  公开（公告）日：2007-11-15

  Compounds of formula I: (wherein variables A 1 , A 2 , A 3 , A 4 , m, n, J, Q, R 4 , E a , E b , E c , R 6 , R 7 , R e , R f , R PG and Y are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  式I的化合物：(其中变量A1、A2、A3、A4、m、n、J、Q、R4、Ea、Eb、Ec、R6、R7、Re、Rf、RPG和Y如本文所述)是CGRP受体拮抗剂，可用于治疗或预防涉及CGRP的疾病，如偏头痛。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及CGRP的疾病中使用这些化合物和组合物。
• CGRP receptor antagonists
  申请人：Staas Donnette D.

  公开号：US08685965B2

  公开（公告）日：2014-04-01

  Compounds of Formula (I), (wherein variables A1, A2, A3, A4, A5, A6, A7, A8, L, J, Q, R4, Ea, Eb, Ec, R6, R7, Re, Rf, RPG, W, Y and Z are as described herein) 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 these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP receptors are involved.

  公式（I）的化合物（其中变量A1、A2、A3、A4、A5、A6、A7、A8、L、J、Q、R4、Ea、Eb、Ec、R6、R7、Re、Rf、RPG、W、Y和Z如本文所述）可用作CGRP受体的拮抗剂，并且可用于治疗或预防CGRP受体参与的疾病，例如头痛，特别是偏头痛和群集性头痛。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗CGRP受体参与的这些疾病中使用这些化合物和组合物。