tert-butyl 2-(2-hydroxy-2-methylpropyl)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate | 1270029-99-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl 2-(2-hydroxy-2-methylpropyl)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate
• 英文别名: tert-butyl 2-(2-hydroxy-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate；Tert-butyl 2-(2-hydroxy-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
• CAS: 1270029-99-6
• 化学式: C₁₄H₂₃N₃O₃
• 分子量: 281.355
• InChiKey: PYEZIKJUJGNBCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  67.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(2-hydroxy-2-methylpropyl)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate 在 二乙胺基三氟化硫 、 水 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 tert-butyl 2-(2-fluoro-2-methyl-propyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES
  [FR] AMINOTÉTRAHYDROTHIOPYRANES SUBSTITUÉS ET DÉRIVÉS DE CEUX-CI UTILISÉS EN TANT QU'INHIBITEURS DE LA DIPEPTIDYLPEPTIDASE-IV DANS LE CADRE DU TRAITEMENT DU DIABÈTE

  摘要：

  本发明涉及一种新型的取代氨基四氢硫代吡喃及其衍生物，其化学结构式为(I)，这些化合物是二肽基肽酶-IV酶的抑制剂，对于治疗或预防二肽基肽酶-IV酶参与的疾病非常有用，例如糖尿病，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。

  公开号：

  WO2011103256A1
• 作为产物：
  描述：

  1-叔丁氧碳基-3-吡咯烷酮 在 sodium hexamethyldisilazane 、 肼 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.34h， 生成 tert-butyl 2-(2-hydroxy-2-methylpropyl)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate 、 tert-butyl 1-(2-hydroxy-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES
  [FR] COMPOSÉS HÉTÉROCYCLIQUES SUBSTITUÉS À SEPT CHAÎNONS EN TANT QU'INHIBITEURS DE LA DIPEPTIDYL-PEPTIDASE IV POUR LE TRAITEMENT DU DIABÈTE

  摘要：

  本发明涉及结构式（I）的新型氨基取代的七元杂环化合物，这些化合物是二肽基肽酶-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，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。

  公开号：

  WO2011146358A1

文献信息

• [EN] AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES<br/>[FR] AMINOTÉTRAHYDROPANES UTILISÉS COMME INHIBITEURS DE LA DIPEPTYL PEPTIDASE-IV POUR TRAITER OU PRÉVENIR LE DIABÈTE
  申请人：MERCK SHARP & DOHME

  公开号：WO2011028455A1

  公开（公告）日：2011-03-10

  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，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，如糖尿病，特别是2型糖尿病方面具有用途。该发明还涉及包含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酶参与的这类疾病中使用这些化合物和组合物。
• AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES
  申请人：Biftu Tesfaye

  公开号：US20120149734A1

  公开（公告）日：2012-06-14

  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，适用于治疗或预防二肽基肽酶-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酶参与的疾病中的应用。
• SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES
  申请人：Wilkening Robert R.

  公开号：US20120277240A1

  公开（公告）日：2012-11-01

  The present invention is directed to novel substituted aminotetrahydrothiopyrans and derivatives thereof 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取代氨基四氢硫吡喃及其衍生物，其化学结构式为(I)，这些化合物是二肽基肽酶-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，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酶参与的疾病方面的用途。
• SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES
  申请人：Hicks Jacqueline D.

  公开号：US20130203786A1

  公开（公告）日：2013-08-08

  The present invention is directed to novel amino-substituted seven-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 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)的新型氨基取代七元杂环化合物，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在预防或治疗二肽基肽酶IV酶参与的疾病方面使用这些化合物和组合物。
• [EN] SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C] PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C] PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS<br/>[FR] COMPOSÉS DE 2,4,5,6-TÉTRAHYDROPYRROLO[3,4-C] PYRAZOLE ET 4,5,6,7-TÉTRAHYDRO-2 H-PYRAZOLO [4,3-C] PYRIDINE UTILISÉS COMME INHIBITEURS DE GLYT1
  申请人：DART NEUROSCIENCE LLC

  公开号：WO2015164520A4

  公开（公告）日：2015-12-17