1-(2,2,2-Trifluoro-ethyl)-3-trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine | 794451-95-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(2,2,2-Trifluoro-ethyl)-3-trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
• 英文别名: 1-(2,2,2-Trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine；1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
• CAS: 794451-95-9
• 化学式: C₉H₉F₆N₃
• 分子量: 273.181
• InChiKey: GOCOZQWFAUUGLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(2,2,2-Trifluoro-ethyl)-3-trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 (R)-3-Amino-4-(2,5-difluoro-phenyl)-1-[1-(2,2,2-trifluoro-ethyl)-3-trifluoromethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-butan-1-one
  参考文献：
  名称：

  衍生自带有稠合噻唑，恶唑，异恶唑或吡唑的β-氨基酰基哌啶的二肽基肽酶IV抑制剂。

  摘要：

  合成了一系列带有各种稠合五元杂环的β-氨基酰基哌啶，作为二肽基肽酶IV抑制剂。根据杂环，区域异构和取代的选择，可以获得有效且相对选择性的抑制作用。特别地，尽管具有相当高的清除率，一种类似物（74，DPP-IV IC50 ＝ 26nM）在大鼠中表现出良好的口服生物利用度和可接受的半衰期。

  DOI：

  10.1016/j.bmcl.2005.03.012
• 作为产物：
  描述：

  tert-butyl 4-oxo-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate 、 2,2,2-三氟乙基肼 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-(2,2,2-Trifluoro-ethyl)-3-trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine 、 2-(2,2,2-Trifluoro-ethyl)-3-trifluoromethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  衍生自带有稠合噻唑，恶唑，异恶唑或吡唑的β-氨基酰基哌啶的二肽基肽酶IV抑制剂。

  摘要：

  合成了一系列带有各种稠合五元杂环的β-氨基酰基哌啶，作为二肽基肽酶IV抑制剂。根据杂环，区域异构和取代的选择，可以获得有效且相对选择性的抑制作用。特别地，尽管具有相当高的清除率，一种类似物（74，DPP-IV IC50 ＝ 26nM）在大鼠中表现出良好的口服生物利用度和可接受的半衰期。

  DOI：

  10.1016/j.bmcl.2005.03.012

文献信息

• 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes
  申请人：Ashton T Wallace

  公开号：US20060069116A1

  公开（公告）日：2006-03-30

  The present invention is directed to 3-amino-4-phenylbutanoic acid derivatives which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DP-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.
• US7265128B2
  申请人：——

  公开号：US7265128B2

  公开（公告）日：2007-09-04
• [EN] 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES<br/>[FR] DERIVES D'ACIDE 3-AMINO-4-PHENYLBUTANOIQUE UTILISES COMME INHIBITEURS DE LA DIPEPTIDYL PEPTIDASE POUR LE TRAITEMENT OU LA PREVENTION DU DIABETE
  申请人：MERCK & CO INC

  公开号：WO2004064778A2

  公开（公告）日：2004-08-05

  The present invention is directed to 3-amino-4-phenylbutanoic acid derivatives which are inhibitors of the dipeptidyl peptidase-IV enzyme ('DP-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.