tert-butyl [(1S,2R,5S)-5-(3-amino-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexyl]carbamate | 945217-68-5

• 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: tert-butyl [(1S,2R,5S)-5-(3-amino-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexyl]carbamate
• 英文别名: tert-Butyl [(1S,2R,5S)-5-(3-amino-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexyl]carbamate；tert-butyl N-[(1S,2R,5S)-5-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)-2-(2,4,5-trifluorophenyl)cyclohexyl]carbamate
• CAS: 945217-68-5
• 化学式: C₂₂H₂₈F₃N₅O₂
• 分子量: 451.492
• InChiKey: WGWLWHBLVVNMJX-IUUKEHGRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  96.3
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl [(1S,2R,5S)-5-(3-amino-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexyl]carbamate 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 5-[(1S,3S,4R)-3-amino-4-(2,4,5-trifluorophenyl)cyclohexyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-amine bis trifluoroacetic acid salt
  参考文献：
  名称：

  WO2007/87231

  摘要：

  公开号：
• 作为产物：
  描述：

  benzyl {5-[(1S,3S,4R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)cyclohexyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}carbamate 在 氢氧化钯 氢气 、 甲醇 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 tert-butyl [(1S,2R,5S)-5-(3-amino-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexyl]carbamate
  参考文献：
  名称：

  Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes

  摘要：

  本发明涉及结构式（I）的新型取代氨基环己烷，其是二肽基肽酶-IV酶的抑制剂，并且对于涉及二肽基肽酶-IV酶的疾病的治疗或预防，例如糖尿病，特别是2型糖尿病，具有用途。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涉及二肽基肽酶-IV酶的疾病中的使用。

  公开号：

  US20090270467A1

文献信息

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

  公开号：US07750034B2

  公开（公告）日：2010-07-06

  The present invention is directed to novel substituted aminocyclohexanes 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.

  本发明涉及一种结构式为（I）的新型取代氨基环己烷，其为二肽基肽酶-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，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酶参与的疾病中的用途。
• WO2007/87231
  申请人：——

  公开号：——

  公开（公告）日：——
• Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Biftu Tesfaye

  公开号：US20090270467A1

  公开（公告）日：2009-10-29

  The present invention is directed to novel substituted aminocyclohexanes 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）的新型取代氨基环己烷，其是二肽基肽酶-IV酶的抑制剂，并且对于涉及二肽基肽酶-IV酶的疾病的治疗或预防，例如糖尿病，特别是2型糖尿病，具有用途。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涉及二肽基肽酶-IV酶的疾病中的使用。