tert-butyl [(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluorophenyl)piperidin-3-yl]carbamate | 1375471-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl [(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluorophenyl)piperidin-3-yl]carbamate
• 英文别名: tert-butyl [(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluorophenyl)piperidin-3-yI]carbamate；tert-butyl[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluorophenyl)piperidin-3-yl]carbamate；tert-butyl N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluorophenyl)piperidin-3-yl]carbamate
• CAS: 1375471-07-0
• 化学式: C₁₉H₂₂F₆N₂O₃
• 分子量: 440.386
• InChiKey: UDNZLXDBLSXVKA-UDZFHETQSA-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：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  tert-butyl [(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluorophenyl)piperidin-3-yl]carbamate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 0.5h， 生成 (3S,5S,6R)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluorophenyl)piperidin-2-one hydrochloride
  参考文献：
  名称：

  Piperidinone carboxamide indane CGRP receptor antagonists

  摘要：

  本发明涉及哌啶酮羧酰胺茚烷衍生物，其为CGRP受体拮抗剂，可用于治疗或预防CGRP参与的疾病，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CGRP参与的这类疾病中使用这些化合物和组合物。

  公开号：

  US09499541B2
• 作为产物：
  描述：

  5-bromo-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one 在 platinum(IV) oxide 、 二(三叔丁基膦)钯 、 palladium 10% on activated carbon 氢气 、 potassium carbonate 、 cesium fluoride 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， -78.0~50.0 ℃ 、310.27 kPa 条件下， 反应 6.5h， 生成 tert-butyl [(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluorophenyl)piperidin-3-yl]carbamate
  参考文献：
  名称：

  [EN] PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS
  [FR] PIPÉRIDINONE CARBOXAMIDE SPIROHYDANTOÏNE, ANTAGONISTES DU RÉCEPTEUR CGRP

  摘要：

  本发明涉及哌啶酮羧酰胺螺环咪唑二酮衍生物，这些衍生物是CGRP受体拮抗剂，在治疗或预防CGRP参与的疾病，如偏头痛方面具有用处。该发明还涉及含有这些化合物的药物组合物，以及利用这些化合物和组合物在预防或治疗CGRP参与的疾病方面的用途。

  公开号：

  WO2012129013A1

文献信息

• PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS
  申请人：Bell Ian M.

  公开号：US20120122899A1

  公开（公告）日：2012-05-17

  The present invention is directed to piperidinone carboxamide azaindane derivatives which are antagonists of CGRP receptors and 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.

  本发明涉及哌啶酮羧酰胺吖啶衍生物，它们是CGRP受体拮抗剂，可用于治疗或预防CGRP参与的疾病，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CGRP参与的这类疾病中使用这些化合物和组合物。
• [EN] PIPERIDINE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES SPIROHYDANTOÏNES DES RÉCEPTEURS CGRP DE TYPE CARBOXAMIDE DE PIPÉRIDINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2012129014A1

  公开（公告）日：2012-09-27

  The present invention is directed to piperidinone carboxamide spirohydantoin derivatives which are antagonists of CGRP receptors and 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.

  本发明涉及吡啶酮羧酰胺螺内酰脲衍生物，这些衍生物是CGRP受体拮抗剂，并且在治疗或预防涉及CGRP的疾病，如偏头痛等方面具有用途。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的这类疾病中使用这些化合物和组合物。
• [EN] PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS<br/>[FR] PIPÉRIDINONE CARBOXAMIDE SPIROHYDANTOÏNE, ANTAGONISTES DU RÉCEPTEUR CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2012129013A1

  公开（公告）日：2012-09-27

  The present invention is directed to piperidinone carboxamide spirohydantoin derivatives which are antagonists of CGRP receptors and 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.

  本发明涉及哌啶酮羧酰胺螺环咪唑二酮衍生物，这些衍生物是CGRP受体拮抗剂，在治疗或预防CGRP参与的疾病，如偏头痛方面具有用处。该发明还涉及含有这些化合物的药物组合物，以及利用这些化合物和组合物在预防或治疗CGRP参与的疾病方面的用途。
• Piperidinone carboxamide azaindane CGRP receptor antagonists
  申请人：Bell Ian M.

  公开号：US08481556B2

  公开（公告）日：2013-07-09

  The present invention is directed to piperidinone carboxamide azaindane derivatives which are antagonists of CGRP receptors and 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.

  本发明涉及对CGRP受体具有拮抗作用的哌啶酮羧酰胺唑吖啶衍生物，可用于治疗或预防涉及CGRP的疾病，如偏头痛。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涉及CGRP的疾病中使用这些化合物和组合物。
• PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS
  申请人：Bell Ian M.

  公开号：US20140005214A1

  公开（公告）日：2014-01-02

  The present invention is directed to piperidinone carboxamide spirohydantoin derivatives which are antagonists of CGRP receptors and 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.

  本发明涉及对CGRP受体具有拮抗作用的哌啶酮羧酰胺螺内酰脲衍生物，其用于治疗或预防CGRP参与的疾病，如偏头痛。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参与的这些疾病中使用这些化合物和组合物。