1,4,5,6-四氢吡咯并[3,4-c]吡唑-3-胺 | 953732-68-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡唑类
• 中文名称: 1,4,5,6-四氢吡咯并[3,4-c]吡唑-3-胺
• 英文名称: 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazol-3-amine
• CAS: 953732-68-8
• 化学式: C₅H₈N₄
• mdl: MFCD09731317
• 分子量: 124.145
• InChiKey: KVRUYJRLTMIRKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  66.7
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  N-(2-氰基乙基)-N-[叔丁氧羰基]甘氨酸甲酯 在 sodium methylate 、 三氟乙酸 、 肼 作用下， 以 乙醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 生成 1,4,5,6-四氢吡咯并[3,4-c]吡唑-3-胺
  参考文献：
  名称：

  Structure–activity-relationship of amide and sulfonamide analogs of omarigliptin

  摘要：

  A series of novel substituted-[(3R)-amino-2-(2,5-difluorophenyl)]tetrahydro-2H-pyran analogs have been prepared and evaluated as potent, selective and orally active DPP-4 inhibitors. These efforts lead to the discovery of a long acting DPP-4 inhibitor, omarigliptin (MK-3102), which recently completed phase III clinical development and has been approved in Japan. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.10.070

文献信息

• HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES
  申请人：Biftu Tesfaye

  公开号：US20110224195A1

  公开（公告）日：2011-09-15

  The present invention is directed to substituted six-membered heterocyclic compounds of structural formula (I) which are inhibitors of the dipeptidyl peptidase-IV enzyme and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as obesity and diabetes, 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）的取代六元杂环化合物，它们是二肽基肽酶IV酶的抑制剂，并且在治疗或预防二肽基肽酶IV酶参与的疾病中有用，例如肥胖症和糖尿病，特别是2型糖尿病。本发明还涉及包括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。
• Heterocyclic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes
  申请人：Biftu Tesfaye

  公开号：US08653059B2

  公开（公告）日：2014-02-18

  The present invention is directed to substituted six-membered heterocyclic compounds of structural formula (I) which are inhibitors of the dipeptidyl peptidase-IV enzyme and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as obesity and diabetes, 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）的取代六元杂环化合物，其是二肽基肽酶-IV酶的抑制剂，可用于治疗或预防涉及二肽基肽酶-IV酶的疾病，如肥胖症和糖尿病，尤其是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使用这些化合物和组合物预防或治疗涉及二肽基肽酶-IV酶的这些疾病。
• Structure–activity-relationship of amide and sulfonamide analogs of omarigliptin
  作者：Ping Chen、Dennis Feng、Xiaoxia Qian、James Apgar、Robert Wilkening、Jeffrey T. Kuethe、Ying-Duo Gao、Giovanna Scapin、Jason Cox、George Doss、George Eiermann、Huaibing He、Xiaohua Li、Kathryn A. Lyons、Joseph Metzger、Aleksandr Petrov、Joseph K. Wu、Shiyao Xu、Ann E. Weber、Youwei Yan、Ranabir Sinha Roy、Tesfaye Biftu

  DOI：10.1016/j.bmcl.2015.10.070

  日期：2015.12

  A series of novel substituted-[(3R)-amino-2-(2,5-difluorophenyl)]tetrahydro-2H-pyran analogs have been prepared and evaluated as potent, selective and orally active DPP-4 inhibitors. These efforts lead to the discovery of a long acting DPP-4 inhibitor, omarigliptin (MK-3102), which recently completed phase III clinical development and has been approved in Japan. (C) 2015 Elsevier Ltd. All rights reserved.