tert-butyl ((1R)-3-oxo-1-(2,4,5-trifluorobenzyl)-3-{2-[2-(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-yl]hydrazino}propyl)carbamate | 877402-92-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl ((1R)-3-oxo-1-(2,4,5-trifluorobenzyl)-3-{2-[2-(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-yl]hydrazino}propyl)carbamate
• 英文别名: Tert-butyl((1r)-3-oxo-1-(2,4,5-trifluorobenzyl)-3-{2-[2-(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-yl]hydrazino}propyl)carbamate；tert-butyl N-[(2R)-4-oxo-4-[2-[2-(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-yl]hydrazinyl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate
• CAS: 877402-92-1
• 化学式: C₂₃H₂₄F₆N₆O₃
• 分子量: 546.472
• InChiKey: DYMALICJCBKALJ-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  tert-butyl ((1R)-3-oxo-1-(2,4,5-trifluorobenzyl)-3-{2-[2-(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-yl]hydrazino}propyl)carbamate 在 乙腈 、 水 作用下， 以 乙二醇甲醚 为溶剂， 反应 5.5h， 生成 tert-butyl {(1R)-1-(2,4,5-trifluorobenzyl)-2-[9-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4',3':1,2]pyrido[3,4-d]pyrimidin-3-yl]ethyl}carbamate
  参考文献：
  名称：

  Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes

  摘要：

  本发明涉及新型融合三唑衍生物，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，如糖尿病和特别是2型糖尿病方面非常有用。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涉及二肽基肽酶-IV酶的这些疾病中使用这些化合物和组合物的用途。

  公开号：

  US07625888B2
• 作为产物：
  描述：

  8-methoxy-2-(trifluoromethyl)-6,5-dihydropyrido[3,4-d]pyrimidine 、 tert-butyl [(1R)-3-hydrazino-3-oxo-1-(2,4,5-trifluorophenyl)propyl]carbamate 以 甲醇 为溶剂， 反应 5.5h， 生成 tert-butyl ((1R)-3-oxo-1-(2,4,5-trifluorobenzyl)-3-{2-[2-(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-yl]hydrazino}propyl)carbamate
  参考文献：
  名称：

  [EN] FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES
  [FR] DERIVES DE TRIAZOLE ACCOLES INHIBITEURS DE LA DIPEPTIDYL PEPTIDASE-IV UTILISES DANS LE TRAITEMENT OU LA PREVENTION DU DIABETE

  摘要：

  公开号：

  WO2006023750A3

文献信息

• Fused Triazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Weber E. Ann

  公开号：US20070208010A1

  公开（公告）日：2007-09-06

  The present invention is directed to novel fused triazole derivatives 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.

  本发明涉及新型融合的三唑衍生物，它们是二肽基肽酶-IV酶（“DPP-IV抑制剂”）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药物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。
• [EN] FUSED TRIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES<br/>[FR] DERIVES DE TRIAZOLE ACCOLES INHIBITEURS DE LA DIPEPTIDYL PEPTIDASE-IV UTILISES DANS LE TRAITEMENT OU LA PREVENTION DU DIABETE
  申请人：MERCK & CO INC

  公开号：WO2006023750A3

  公开（公告）日：2006-07-27
• Fused triazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes
  申请人：Merck & Co., Inc.

  公开号：US07625888B2

  公开（公告）日：2009-12-01

  The present invention is directed to novel fused triazole derivatives 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.

  本发明涉及新型融合三唑衍生物，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，如糖尿病和特别是2型糖尿病方面非常有用。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涉及二肽基肽酶-IV酶的这些疾病中使用这些化合物和组合物的用途。