phenyl (N-cyano-N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl])imidocarbamate | 784156-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: phenyl (N-cyano-N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl])imidocarbamate
• 英文别名: phenyl N'-cyano-N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl]imidocarbamate；phenyl N-cyano-N'-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl]carbamimidate
• CAS: 784156-81-6
• 化学式: C₂₂H₂₂F₂N₄O₂
• 分子量: 412.439
• InChiKey: FUWQVZDYYVFDCN-DNVCBOLYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  77.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-oxo-1-(4-piperidinyl)-2,3-dihydro-1H-imidazo[4,5-b]pyridine dihydrochloride 、 phenyl (N-cyano-N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl])imidocarbamate 在 N,N-二异丙基乙胺 作用下， 以 戊醇 为溶剂， 反应 24.0h， 生成 N'-cyano-N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
  参考文献：
  名称：

  [EN] CGRP RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DES RECEPTEURS CGRP

  摘要：

  公开号：

  WO2004092166A3
• 作为产物：
  描述：

  (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-ethylazepan-2-one 、 N-氰基羰亚胺二苯基酯 在 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 5.0h， 生成 phenyl (N-cyano-N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl])imidocarbamate
  参考文献：
  名称：

  [EN] CGRP RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DES RECEPTEURS CGRP

  摘要：

  公开号：

  WO2004092166A3

文献信息

• CGRP receptor antagonists
  申请人：Burgey S. Christopher

  公开号：US20050256098A1

  公开（公告）日：2005-11-17

  The present invention is directed to compounds of Formula I: and Formula II: (where variables R 1 , R 2 , R 3 , R 4 , A, B, G, J, Q, T, U, V, W, X and Y are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, 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 is involved.

  本发明涉及式I和式II的化合物：（其中变量R1、R2、R3、R4、A、B、G、J、Q、T、U、V、W、X和Y如此定义），这些化合物可用作CGRP受体的拮抗剂，并可用于治疗或预防CGRP参与的疾病，如头痛、偏头痛和集群头痛。本发明还涉及包含这些化合物的制药组合物以及使用这些化合物和组合物预防或治疗参与CGRP的这些疾病。
• Cgrp Receptor Antagonists
  申请人：Paone V. Daniel

  公开号：US20080090806A1

  公开（公告）日：2008-04-17

  The present invention is directed to compounds of Formula (I) and Formula (II) (where variables R1, R2, R3, R4, A, B, G, J, Q, T, U, V, W, X and Y are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, 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 is involved.

  本发明涉及式（I）和式（II）化合物（其中变量R1、R2、R3、R4、A、B、G、J、Q、T、U、V、W、X和Y的定义如本文所述），其作为CGRP受体拮抗剂在治疗或预防CGRP参与的疾病，如头痛、偏头痛和集群性头痛中有用。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗CGRP参与的这些疾病中的使用。
• CGRP RECEPTOR ANTAGONISTS
  申请人：Paone Daniel Vincent

  公开号：US20100298303A1

  公开（公告）日：2010-11-25

  The present invention is directed to compounds of Formula I: and Formula II: (where variables R 1 , R 2 , R 3 , R 4 , A, B, G, J, Q, T, U, V, W, X and Y are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, 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 is involved.

  本发明涉及式I和式II的化合物：（其中变量R1，R2，R3，R4，A，B，G，J，Q，T，U，V，W，X和Y如本文所定义），其作为CGRP受体拮抗剂在治疗或预防CGRP参与的疾病，如头痛、偏头痛和集群头痛中具有用途。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参与的这些疾病中使用这些化合物和组合物的用途。
• US6953790B2
  申请人：——

  公开号：US6953790B2

  公开（公告）日：2005-10-11
• US7235545B2
  申请人：——

  公开号：US7235545B2

  公开（公告）日：2007-06-26