(2R,3S,5R)-2-(2,4,5-trifluorophenyl)-5-[2-(cyclopropylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine trifluoroacetate | 1226781-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡唑类
• 英文名称: (2R,3S,5R)-2-(2,4,5-trifluorophenyl)-5-[2-(cyclopropylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine trifluoroacetate
• 英文别名: (2r,3s,5r)-2-(2,4,5-Trifluorophenyl)-5-[2-(cyclopropylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl]tetrahydro-2h-pyran-3-amine trifluoroacetate salt；(2R,3S,5R)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine;2,2,2-trifluoroacetic acid
• CAS: 1226781-66-3
• 化学式: C₂HF₃O₂*C₁₉H₂₁F₃N₄O₃S
• 分子量: 556.486
• InChiKey: VZWLTKYXYXBHDJ-XQJMTAHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  tert-Butyl {(2R,3S,5R)-2-(2,4,5-trifluorophenyl)-5-[2-(cyclopropylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-yl}carbamate 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 (2R,3S,5R)-2-(2,4,5-trifluorophenyl)-5-[2-(cyclopropylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine trifluoroacetate
  参考文献：
  名称：

  AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES

  摘要：

  本发明涉及结构式I的新型取代氨基四氢吡喃，其是二肽基肽酶IV酶的抑制剂，适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。

  公开号：

  US20140287993A1

文献信息

• Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes
  申请人：Merck Sharp & Dohme Corp.

  公开号：US08143289B2

  公开（公告）日：2012-03-27

  The present invention is directed to novel substituted aminotetrahydropyrans 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 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结构式I的取代氨基四氢吡喃类化合物，它们是二肽基肽酶IV酶的抑制剂，可用于治疗或预防二肽基肽酶IV酶参与的疾病，例如糖尿病，尤其是2型糖尿病。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物和组合物预防或治疗二肽基肽酶IV酶参与的这些疾病。
• AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150126443A1

  公开（公告）日：2015-05-07

  The present invention is directed to novel substituted aminotetrahydropyrans 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 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的新型取代氨基四氢吡喃衍生物，其为二肽基肽酶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，如糖尿病和特别是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。
• Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes
  申请人：Merck Sharp & Dohme Corp.

  公开号：US09138426B2

  公开（公告）日：2015-09-22

  The present invention is directed to novel substituted aminotetrahydropyrans 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 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的新型取代氨基四氢吡喃化合物，其为二肽基肽酶-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，例如糖尿病和特别是2型糖尿病方面具有用途。本发明还涉及包括这些化合物的药物组合物以及在预防或治疗二肽基肽酶-IV酶参与的这些疾病方面使用这些化合物和组合物的用途。
• Combination drugs comprising aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2676960A1

  公开（公告）日：2013-12-25

  The present invention is directed to a combination comprising a compound of structural formula I or a pharmaceutically acceptable salt thereof and a biguanide; wherein the variables are as defined in the specification.Compouds (I) are inhibtors of the enzyme dipeptidyl peptidase IV (dpp4-inhibitors) and may be used in the reatment of diabetes.

  本发明涉及一种组合物，该组合物包含结构式 I 的化合物或其药学上可接受的盐和双胍；其中变量如说明书中所定义。
• US8143289B2
  申请人：——

  公开号：US8143289B2

  公开（公告）日：2012-03-27