7-苄基-2-(三氟甲基)-5,6,7,8-四氢吡啶并[3,4-d]嘧啶-4-醇 | 647862-97-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 7-苄基-2-(三氟甲基)-5,6,7,8-四氢吡啶并[3,4-d]嘧啶-4-醇
• 英文名称: 7-benzyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ol
• 英文别名: 7-(phenylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrimidin-4-ol；7-(phenylmethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ol；7-Benzyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidin-4-OL；7-benzyl-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• CAS: 647862-97-3
• 化学式: C₁₅H₁₄F₃N₃O
• 分子量: 309.291
• InChiKey: YIPADMYNTRDCKN-UHFFFAOYSA-N

物化性质

• 沸点：
  371.6±52.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-苄基-2-(三氟甲基)-5,6,7,8-四氢吡啶并[3,4-d]嘧啶-4-醇 在 20 % Pd(OH)2/C 氢气 作用下， 以 甲醇 为溶剂， 反应 20.0h， 以77%的产率得到2-(三氟甲基)-5,6,7,8-四氢吡啶并[3,4-d]嘧啶-4-醇
  参考文献：
  名称：

  [EN] SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER
  [FR] SULFAMIDES UTILISÉS COMME INHIBITEURS DES PROTÉINES DE LA FAMILLE DE BCL-2 DANS LE TRAITEMENT DU CANCER

  摘要：

  本发明涉及一种新型化合物和通过拮抗Bcl-2家族蛋白治疗疾病或紊乱的方法，特别是公式(I)的化合物或其药用盐，以及治疗与Bcl-2抑制相关的疾病、紊乱或综合征的方法，特别是高增殖性疾病。本发明还包括包括公式(I)的化合物和其药用盐的药物组合物。

  公开号：

  WO2011029842A1
• 作为产物：
  描述：

  N-苄基-3-氧代哌啶-4-羧酸乙酯盐酸盐 、 三氟乙脒 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 31.25h， 生成 7-苄基-2-(三氟甲基)-5,6,7,8-四氢吡啶并[3,4-d]嘧啶-4-醇
  参考文献：
  名称：

  [EN] AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES
  [FR] AMINOCYCLOHEXANES EN TANT QU'INHIBITEURS DE DIPEPTIDYL PEPTIDASE-IV POUR LE TRAITEMENT OU LA PRÉVENTION DE DIABÈTES

  摘要：

  本发明涉及一种新型的取代氨基环己烷，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酶的疾病中具有用处，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涉及二肽基肽酶-IV酶的这类疾病中使用这些化合物和组合物。

  公开号：

  WO2006009886A1

文献信息

• [EN] AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES<br/>[FR] AMINOCYCLOHEXANES EN TANT QU'INHIBITEURS DE DIPEPTIDYL PEPTIDASE-IV POUR LE TRAITEMENT OU LA PRÉVENTION DE DIABÈTES
  申请人：MERCK & CO INC

  公开号：WO2006009886A1

  公开（公告）日：2006-01-26

  The present invention is directed to novel substituted aminocyclohexanes 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.

  本发明涉及一种新型的取代氨基环己烷，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酶的疾病中具有用处，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涉及二肽基肽酶-IV酶的这类疾病中使用这些化合物和组合物。
• [EN] SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER<br/>[FR] SULFAMIDES UTILISÉS COMME INHIBITEURS DES PROTÉINES DE LA FAMILLE DE BCL-2 DANS LE TRAITEMENT DU CANCER
  申请人：NOVARTIS AG

  公开号：WO2011029842A1

  公开（公告）日：2011-03-17

  The present invention includes novel compound and methods of treating a disease or disorder by antagonizing Bcl-2 family proteins, particularly compounds of Formula (I) or pharmaceutically acceptable salt thereof, as well as methods of treating a disease, disorder, or syndrome associated with Bcl-2 inhibition, particularly hyperproliferative diseases. The present invention also includes pharmaceutical compositions including compounds of formula (I) and pharmaceutically acceptable salts thereof.

  本发明涉及一种新型化合物和通过拮抗Bcl-2家族蛋白治疗疾病或紊乱的方法，特别是公式(I)的化合物或其药用盐，以及治疗与Bcl-2抑制相关的疾病、紊乱或综合征的方法，特别是高增殖性疾病。本发明还包括包括公式(I)的化合物和其药用盐的药物组合物。
• [EN] PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES<br/>[FR] INHIBITEURS DE PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE UTILISES DANS LE TRAITEMENT DU DIABETE
  申请人：MERCK & CO INC

  公开号：WO2004007468A1

  公开（公告）日：2004-01-22

  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.

  本发明涉及一种抑制二肽基肽酶IV酶（'DP-IV抑制剂'）的化合物，该化合物在治疗或预防涉及二肽基肽酶IV酶的疾病中具有用途，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，以及利用这些化合物和组合物在预防或治疗涉及二肽基肽酶IV酶的疾病中的用途。
• Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes
  申请人：Mathvink J. Robert

  公开号：US20060040963A1

  公开（公告）日：2006-02-23

  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.

  本发明涉及一种双肽酶IV酶（“DP-IV抑制剂”）的抑制剂化合物，可用于治疗或预防双肽酶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在预防或治疗双肽酶IV酶参与的这些疾病中使用这些化合物和组合物的用途。
• Aminocyclohexanes as Dipeptidyl Peptidase-Iv Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Biftu Tesfaye

  公开号：US20070254865A1

  公开（公告）日：2007-11-01

  The present invention is directed to novel substituted aminocyclohexanes 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.

  本发明涉及新型的取代氨基环己烷，其为二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，并且对于二肽基肽酶-IV酶参与的疾病，例如糖尿病和特别是2型糖尿病的治疗或预防有用。该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酶参与的这些疾病中使用这些化合物和组合物。