7-苄基-4-氯-2-(三氟甲基)-5,6,7,8-四氢吡啶并[3,4-D]嘧啶 | 647863-01-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 7-苄基-4-氯-2-(三氟甲基)-5,6,7,8-四氢吡啶并[3,4-D]嘧啶
• 英文名称: 4-chloro-7-(phenylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrimidine
• 英文别名: 7-benzyl-4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine；4-chloro-7-(phenylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine；7-benzyl-4-chloro-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• CAS: 647863-01-2
• 化学式: C₁₅H₁₃ClF₃N₃
• 分子量: 327.737
• InChiKey: YREWJHWRHYBMPE-UHFFFAOYSA-N

物化性质

• 沸点：
  355.9±42.0 °C(Predicted)
• 密度：
  1.379±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  7-苄基-4-氯-2-(三氟甲基)-5,6,7,8-四氢吡啶并[3,4-D]嘧啶 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 7.5h， 生成 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride
  参考文献：
  名称：

  [EN] PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES
  [FR] INHIBITEURS DE PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE UTILISES DANS LE TRAITEMENT DU DIABETE

  摘要：

  本发明涉及一种抑制二肽基肽酶IV酶（'DP-IV抑制剂'）的化合物，该化合物在治疗或预防涉及二肽基肽酶IV酶的疾病中具有用途，如糖尿病，特别是2型糖尿病。该发明还涉及包含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涉及二肽基肽酶IV酶的疾病中的用途。

  公开号：

  WO2004007468A1
• 作为产物：
  描述：

  7-苄基-2-(三氟甲基)-5,6,7,8-四氢吡啶并[3,4-d]嘧啶-4-醇 在 苯膦酰二氯 作用下， 反应 2.0h， 以76%的产率得到7-苄基-4-氯-2-(三氟甲基)-5,6,7,8-四氢吡啶并[3,4-D]嘧啶
  参考文献：
  名称：

  [EN] PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES
  [FR] INHIBITEURS DE PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE UTILISES DANS LE TRAITEMENT DU DIABETE

  摘要：

  本发明涉及一种抑制二肽基肽酶IV酶（'DP-IV抑制剂'）的化合物，该化合物在治疗或预防涉及二肽基肽酶IV酶的疾病中具有用途，如糖尿病，特别是2型糖尿病。该发明还涉及包含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涉及二肽基肽酶IV酶的疾病中的用途。

  公开号：

  WO2004007468A1

文献信息

• [EN] PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES<br/>[FR] INHIBITEURS DE PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE UTILISES DANS LE TRAITEMENT DU DIABETE
  申请人：MERCK & CO INC

  公开号：WO2004007468A1

  公开（公告）日：2004-01-22

  The present invention is directed to compounds 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.

  本发明涉及一种抑制二肽基肽酶IV酶（'DP-IV抑制剂'）的化合物，该化合物在治疗或预防涉及二肽基肽酶IV酶的疾病中具有用途，如糖尿病，特别是2型糖尿病。该发明还涉及包含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涉及二肽基肽酶IV酶的疾病中的用途。
• Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes
  申请人：Mathvink J. Robert

  公开号：US20060040963A1

  公开（公告）日：2006-02-23

  The present invention is directed to compounds 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.

  本发明涉及一种双肽酶IV酶（“DP-IV抑制剂”）的抑制剂化合物，可用于治疗或预防双肽酶IV酶参与的疾病，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双肽酶IV酶参与的这些疾病中使用这些化合物和组合物的用途。
• Aminocyclohexanes as Dipeptidyl Peptidase-Iv Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Biftu Tesfaye

  公开号：US20070254865A1

  公开（公告）日：2007-11-01

  The present invention is directed to novel substituted aminocyclohexanes 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.

  本发明涉及新型的取代氨基环己烷，其为二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，并且对于二肽基肽酶-IV酶参与的疾病，例如糖尿病和特别是2型糖尿病的治疗或预防有用。该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酶参与的这些疾病中使用这些化合物和组合物。
• Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Weber E. Ann

  公开号：US20070208010A1

  公开（公告）日：2007-09-06

  The present invention is directed to novel fused triazole derivatives 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.

  本发明涉及新型融合的三唑衍生物，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药物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-IV酶参与的疾病中的使用。
• Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes
  申请人：Merck & Co., Inc.

  公开号：US07482336B2

  公开（公告）日：2009-01-27

  The present invention is directed to novel substituted aminocyclohexanes 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环己烷，其为二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，可用于治疗或预防涉及DPP-IV酶的疾病，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将这些化合物和组合物用于涉及DPP-IV酶的这种疾病的预防或治疗。