(4-(6-bromo-pyridin-2-yl)-cyclohex-3-enyl)-dimethyl-amine | 857335-41-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (4-(6-bromo-pyridin-2-yl)-cyclohex-3-enyl)-dimethyl-amine
• 英文别名: 4-(6-bromopyridin-2-yl)-N,N-dimethylcyclohex-3-en-1-amine
• CAS: 857335-41-2
• 化学式: C₁₃H₁₇BrN₂
• 分子量: 281.195
• InChiKey: RTMIDFGYHSAPFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-(6-bromo-pyridin-2-yl)-cyclohex-3-enyl)-dimethyl-amine 生成 (S)-(4-(6-bromo-pyridin-2-yl)-cyclohex-3-enyl)-dimethyl-amine 、 (R)-(4-(6-bromo-pyridin-2-yl)-cyclohex-3-enyl)-dimethyl-amine
  参考文献：
  名称：

  [EN] SUBSTITUTED (4-AMINOCYCLOHEXEN-1-YL)PHENYL AND (4-AMINOCYCLOHEXEN-1-YL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS
  [FR] COMPOSES (4-AMINOCYCLOHEXEN-1-YL)PHENYLE ET (4-AMINOCYCLOHEXEN-1-YL)PYRIDINYLE SERVANT D'AGONISTES DE 5-HT1F

  摘要：

  本发明涉及式(I)的化合物或其药用可接受的酸盐，其中：X为-C(R4)=或-N=；Ar为苯基、取代苯基、杂环或取代杂环；R1和R2独立地为氢或C1-C3烷基；R3为氢、氟或甲基；当X为-C(R4)=时，R4为氢、氟或甲基，但R3和R4中不超过一个可以是氢以外的其他基团；R5为氢、甲基或乙基。本发明的化合物可用于激活5-HT1F受体，抑制硬脑膜蛋白外渗，以及用于治疗或预防哺乳动物的偏头痛。

  公开号：

  WO2005061439A1
• 作为产物：
  描述：

  1-(6-bromo-pyridin-2-yl)-4-dimethylamino-cyclohexanol 在 对甲苯磺酸 、 sodium hydroxide 作用下， 以 甲苯 、 水 、 乙酸乙酯 为溶剂， 反应 16.0h， 以81%的产率得到(4-(6-bromo-pyridin-2-yl)-cyclohex-3-enyl)-dimethyl-amine
  参考文献：
  名称：

  [EN] SUBSTITUTED (4-AMINOCYCLOHEXEN-1-YL)PHENYL AND (4-AMINOCYCLOHEXEN-1-YL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS
  [FR] COMPOSES (4-AMINOCYCLOHEXEN-1-YL)PHENYLE ET (4-AMINOCYCLOHEXEN-1-YL)PYRIDINYLE SERVANT D'AGONISTES DE 5-HT1F

  摘要：

  本发明涉及式(I)的化合物或其药用可接受的酸盐，其中：X为-C(R4)=或-N=；Ar为苯基、取代苯基、杂环或取代杂环；R1和R2独立地为氢或C1-C3烷基；R3为氢、氟或甲基；当X为-C(R4)=时，R4为氢、氟或甲基，但R3和R4中不超过一个可以是氢以外的其他基团；R5为氢、甲基或乙基。本发明的化合物可用于激活5-HT1F受体，抑制硬脑膜蛋白外渗，以及用于治疗或预防哺乳动物的偏头痛。

  公开号：

  WO2005061439A1

文献信息

• Substituted (4-aminocyclohexen-1-yl)phenyl and (4-aminocyclohexen-1-yl)pyridinyl compounds as 5-ht1f agonists
  申请人：Kohlman Timothy Daniel

  公开号：US20070078169A1

  公开（公告）日：2007-04-05

  The present invention relates to compounds of formula I: or a pharmaceutically acceptable acid addition salt thereof, where; X is —C(R 4 )═ or —N═; Ar is phenyl, substituted phenyl, heterocycle, or substituted heterocycle; R 1 and R 2 are independently hydrogen or C 1 -C 3 alkyl; R 3 is hydrogen, fluoro, or methyl; when X is —C(R 4 )═, R 4 is hydrogen, fluoro, or methyl, provided that no more than one of R 3 and R 4 may be other than hydrogen; and R 5 is hydrogen, methyl, or ethyl. The compounds of the present invention are useful for activating 5-HT 1F receptors, inhibiting dural protein extravasation, and for the treatment or prevention of migraine in a mammal.

  本发明涉及式I的化合物或其药学上可接受的酸加成盐，其中：X为—C(R4)═或—N═；Ar为苯基，取代苯基，杂环或取代的杂环；R1和R2独立地为氢或C1-C3烷基；R3为氢，氟或甲基；当X为—C(R4)═时，R4为氢，氟或甲基，但R3和R4中最多只能有一个不是氢；且R5为氢，甲基或乙基。本发明的化合物可用于激活5-HT1F受体，抑制硬脑膜蛋白外渗，并用于哺乳动物偏头痛的治疗或预防。
• Substituted (4-aminocyclohexen-1-yl)phenyl and (4-aminocyclohexen-1-yl)pyridinyl compounds as 5-HT1F agonists
  申请人：Eli Lilly and Company

  公开号：US07312236B2

  公开（公告）日：2007-12-25

  The present invention relates to compounds of formula I: or a pharmaceutically acceptable acid addition salt thereof, where; X is —C(R4)═ or —N═; Ar is phenyl, substituted phenyl, heterocycle, or substituted heterocycle; R1 and R2 are independently hydrogen or C1-C3 alkyl; R3 is hydrogen, fluoro, or methyl; when X is —C(R4)═,R4 is hydrogen, fluoro, or methyl, provided that no more than one of R3and R4 may be other than hydrogen; and R5 is hydrogen, methyl, or ethyl. The compounds of the present invention are useful for activating 5-HT1F receptors, inhibiting dural protein extravasation, and for the treatment or prevention of migraine in a mammal.

  本发明涉及式I的化合物：或其药学上可接受的酸加成盐，其中；X为—C（R4）═或—N═；Ar为苯基，取代苯基，杂环或取代杂环；R1和R2独立地为氢或C1-C3烷基；R3为氢，氟或甲基；当X为—C（R4）═时，R4为氢，氟或甲基，但R3和R4中最多只有一个可以不是氢；且R5为氢，甲基或乙基。本发明的化合物对于激活5-HT1F受体，抑制硬脑膜蛋白外渗以及治疗或预防哺乳动物偏头痛有用。
• SUBSTITUTED (4-AMINOCYCLOHEXEN-1-YL)PHENYL AND (4-AMINOCYCLOHEXEN-1-YL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1697305B1

  公开（公告）日：2007-08-15
• US7312236B2
  申请人：——

  公开号：US7312236B2

  公开（公告）日：2007-12-25
• [EN] SUBSTITUTED (4-AMINOCYCLOHEXEN-1-YL)PHENYL AND (4-AMINOCYCLOHEXEN-1-YL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS<br/>[FR] COMPOSES (4-AMINOCYCLOHEXEN-1-YL)PHENYLE ET (4-AMINOCYCLOHEXEN-1-YL)PYRIDINYLE SERVANT D'AGONISTES DE 5-HT1F
  申请人：LILLY CO ELI

  公开号：WO2005061439A1

  公开（公告）日：2005-07-07

  The present invention relates to compounds of formula (I) or a pharmaceutically acceptable acid addition salt thereof, where; X is -C(R4)= or -N=; Ar is phenyl, substituted phenyl, heterocycle, or substituted heterocycle; R1 and R2 are independantly hydrogen or C1-C3 alkyl; R3 is hydrogen, fluoro, or methyl; when X is -C(R4)=, R4 is hydrogen, fluoro, or methyl, provided that no more than one of R3 and R4 may be other than hydrogen; and R5 is hydrogen, methyl, or ethyl. The compounds of the present invention are useful for activating 5-HT1F receptors, inhibiting dural protein extravasation, and for the treatment or prevention of migraine in a mammal.

  本发明涉及式(I)的化合物或其药用可接受的酸盐，其中：X为-C(R4)=或-N=；Ar为苯基、取代苯基、杂环或取代杂环；R1和R2独立地为氢或C1-C3烷基；R3为氢、氟或甲基；当X为-C(R4)=时，R4为氢、氟或甲基，但R3和R4中不超过一个可以是氢以外的其他基团；R5为氢、甲基或乙基。本发明的化合物可用于激活5-HT1F受体，抑制硬脑膜蛋白外渗，以及用于治疗或预防哺乳动物的偏头痛。