trans-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylate

• 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: trans-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylate
• 英文别名: methyl-trans-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylate；methyl-trans-6-oxo-4-(2,4,5-trifluoropheny)piperidine-3-carboxylate；Methyl trans-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylate；methyl (3S,4R)-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylate
• 化学式: C₁₃H₁₂F₃NO₃
• 分子量: 287.238
• InChiKey: UMBXJPFEJRDXGK-POYBYMJQSA-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：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  trans-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylate 在 锂硼氢 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 69.16h， 生成 trans-5-(hydroxymethyl)-1-(4-methoxybenzyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
  参考文献：
  名称：

  [EN] BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS
  [FR] COMPOSÉS DE BENZÈNESULFONAMIDE ET LEUR UTILISATION EN TANT QU'AGENTS THÉRAPEUTIQUES

  摘要：

  这项发明涉及苯磺酰胺化合物，作为其立体异构体、对映异构体、互变异构体或它们的混合物；或者它们的药用可接受盐、溶剂合物或前药，用于治疗钠通道介导的疾病或症状，如疼痛。

  公开号：

  WO2013064983A1
• 作为产物：
  描述：

  dimethyl 2-cyano-3-(2,4,5-trifluorophenyl)pentanedioate 在 platinum(IV) oxide 氢气 、 乙酰氯 、 potassium carbonate 、 三甲基硅烷化重氮甲烷 作用下， 以 甲醇 、 甲苯 、 hexanes 、 乙醚 为溶剂， 20.0 ℃ 、344.75 kPa 条件下， 反应 26.5h， 生成 trans-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylate
  参考文献：
  名称：

  [EN] AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES
  [FR] AMINOPIPERIDINES UTILISEES COMME INHIBITEURS DE LA DIPEPTIDYLE PEPTIDASE-IV POUR LE TRAITEMENT OU LA PREVENTION DU DIABETE

  摘要：

  公开号：

  WO2006039325A3

文献信息

• [EN] BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS<br/>[FR] COMPOSÉS DE BENZÈNESULFONAMIDE ET LEUR UTILISATION EN TANT QU'AGENTS THÉRAPEUTIQUES
  申请人：XENON PHARMACEUTICALS INC

  公开号：WO2013064983A1

  公开（公告）日：2013-05-10

  This invention is directed to benzensulfonamide compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment of sodium channel-mediated diseases or conditions, such as pain.

  这项发明涉及苯磺酰胺化合物，作为其立体异构体、对映异构体、互变异构体或它们的混合物；或者它们的药用可接受盐、溶剂合物或前药，用于治疗钠通道介导的疾病或症状，如疼痛。
• Fused Aminopiperidines as Dipeptidyl Peptidase-4 Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Cox Jason M.

  公开号：US20090233936A1

  公开（公告）日：2009-09-17

  The present invention is directed to novel substituted fused aminopiperidines of structural formula (I) which are inhibitors of the dipeptidyl peptidase-4 enzyme and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-4 enzyme is involved, such as diabetes and particularly Type 2 diabetes. 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 the dipeptidyl peptidase-4 enzyme is involved.

  本发明涉及一种新颖的结构式（I）的取代融合氨基哌啶，其是二肽基肽酶-4酶的抑制剂，并且在治疗或预防二肽基肽酶-4酶参与的疾病中，例如糖尿病和特别是2型糖尿病中有用。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二肽基肽酶-4酶参与的这些疾病中的使用。
• Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Cox M. Jason

  公开号：US20080076773A1

  公开（公告）日：2008-03-27

  The present invention is directed to novel substituted aminopiperidines which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. 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 the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及一种新型的取代氨基哌啶，它是二肽基肽酶-IV酶（“DPP-IV酶”）的抑制剂，并且在治疗或预防DPP-IV酶参与的疾病，如糖尿病，尤其是2型糖尿病方面具有用处。本发明还涉及包含这些化合物的制药组合物，以及使用这些化合物和组合物在预防或治疗DPP-IV酶参与的这些疾病方面的用途。
• Fused Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Cox Jason M.

  公开号：US20090258894A1

  公开（公告）日：2009-10-15

  The present invention is directed to novel substituted fused aminopiperidines which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. 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 the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及新型取代融合氨基哌啶类化合物，其为二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，可用于治疗或预防二肽基肽酶-IV酶涉及的疾病，例如糖尿病，特别是2型糖尿病。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二肽基肽酶-IV酶涉及的这些疾病中使用这些化合物和组合物。
• Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Edmondson D. Scott

  公开号：US20080009510A1

  公开（公告）日：2008-01-10

  The present invention is directed to novel substituted fused aminopiperidines which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DPP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. 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 the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及一种新型的取代融合氨基哌啶，它们是二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，可用于治疗或预防二肽基肽酶-IV酶参与的疾病，如糖尿病，特别是2型糖尿病。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二肽基肽酶-IV酶参与的这类疾病中使用这些化合物和组合物的用途。