2-(三氟甲基)-5,6-二氢[1,2,4]噻唑并[1,5-a]吡嗪-7(8H)-羧酸叔丁酯 | 681249-59-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(三氟甲基)-5,6-二氢[1,2,4]噻唑并[1,5-a]吡嗪-7(8H)-羧酸叔丁酯
• 英文名称: tert-butyl 2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazine-7(8H)-carboxylate
• 英文别名: tert-Butyl 2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7(8H)-carboxylate；tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
• CAS: 681249-59-2
• 化学式: C₁₁H₁₅F₃N₄O₂
• 分子量: 292.261
• InChiKey: DMGHMNCRYGWVFF-UHFFFAOYSA-N

物化性质

• 沸点：
  356.9±52.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-(三氟甲基)-5,6-二氢[1,2,4]噻唑并[1,5-a]吡嗪-7(8H)-羧酸叔丁酯 、 苄基氯甲基醚 在 7-N-(tert-Butoxycarbonyl)-8-[(benzyloxy)methyl]-2-(trifluoromethyl)-5,6,7,8 tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazine 、 silica gel 、 ethyl acetate n-hexane 作用下， 生成 7-N-(tert-Butoxycarbonyl)-8-[(benzyloxy)methyl]-2-(trifluoromethyl)-5,6,7,8 tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazine
  参考文献：
  名称：

  Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes

  摘要：

  本发明涉及抑制二肽基肽酶-IV酶（“DP-IV抑制剂”）的化合物，该化合物在治疗或预防二肽基肽酶-IV酶参与的疾病中，如糖尿病和特别是2型糖尿病中有用。本发明还涉及含有这些化合物的药物组合物以及使用这些化合物和组合物在预防或治疗二肽基肽酶-IV酶参与的这些疾病中的应用。

  公开号：

  US20060014953A1
• 作为产物：
  描述：

  2-(三氟甲基)-5,6,7,8-四氢-[1,2,4]三唑并[1,5-a]吡嗪 、 二碳酸二叔丁酯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 2-(三氟甲基)-5,6-二氢[1,2,4]噻唑并[1,5-a]吡嗪-7(8H)-羧酸叔丁酯
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of triazolopiperazine-based β-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitors

  摘要：

  Various P-amino amides containing triazolopiperazine heterocycles have been prepared and evaluated as potent, selective, orally active dipeptidyl peptidase IV (DPP-4) inhibitors. These compounds display excellent oral bioavailability and good overall pharmacokinetic profiles in preclinical species. Moreover, in vivo efficacy in an oral glucose tolerance test in lean mice is demonstrated. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.100

文献信息

• Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes
  申请人：Kim Dooseop

  公开号：US20060014953A1

  公开（公告）日：2006-01-19

  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二肽基肽酶-IV酶参与的疾病中，如糖尿病和特别是2型糖尿病中有用。本发明还涉及含有这些化合物的药物组合物以及使用这些化合物和组合物在预防或治疗二肽基肽酶-IV酶参与的这些疾病中的应用。
• 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。
• Beta-amino heterocyclic dipeptidyl peptidase inhibitors for diabetes
  申请人：Merck & Co., Inc.

  公开号：US07390809B2

  公开（公告）日：2008-06-24

  The present invention is directed to compounds of structural formula (I) 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

  本发明涉及结构式（I）的化合物，其为二肽基肽酶-IV酶（“DP-IV抑制剂”）的抑制剂，并且在治疗或预防二肽基肽酶-IV酶涉及的疾病，如糖尿病，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酶涉及的疾病中的使用。
• Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes
  申请人：Merck & Co., Inc.

  公开号：US07625888B2

  公开（公告）日：2009-12-01

  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三唑衍生物，它们是二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，并且在治疗或预防涉及二肽基肽酶-IV酶的疾病，如糖尿病和特别是2型糖尿病方面非常有用。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二肽基肽酶-IV酶的这些疾病中使用这些化合物和组合物的用途。
• ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1554280B1

  公开（公告）日：2007-08-15