tert-butyl [(2R,3R)-7-[(methylsulfonyl)amino]-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-yl]carbamate | 888321-87-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl [(2R,3R)-7-[(methylsulfonyl)amino]-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-yl]carbamate
• 英文别名: tert-Butyl [(2R,3R)-7-[(methylsulfonyl)amino]-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-yl]carbamate；tert-butyl N-[(2R,3R)-7-(methanesulfonamido)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-yl]carbamate
• CAS: 888321-87-7
• 化学式: C₂₃H₂₅F₃N₄O₄S
• 分子量: 510.537
• InChiKey: PMTZWCNMVJHXBQ-KUHUBIRLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  tert-butyl [(2R,3R)-7-[(methylsulfonyl)amino]-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-yl]carbamate 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-[(2R,3R)-2-amino-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl]methanesulfonamide bis-trifluoroacetic acid salt
  参考文献：
  名称：

  WO2006/58064

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl [(2R,3R)-7-amino-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-yl]carbamate 、 甲基磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 tert-butyl [(2R,3R)-7-[(methylsulfonyl)amino]-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-yl]carbamate
  参考文献：
  名称：

  WO2006/58064

  摘要：

  公开号：

文献信息

• Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes
  申请人：Edmondson D. Scott

  公开号：US20080009510A1

  公开（公告）日：2008-01-10

  The present invention is directed to novel substituted fused aminopiperidines 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融合氨基哌啶，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的用途。
• Fused aminopiperidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07718667B2

  公开（公告）日：2010-05-18

  The present invention is directed to novel substituted fused aminopiperidines 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融合氨基哌啶，其为二肽基肽酶-IV酶（“DPP-IV抑制剂”）的抑制剂，并且在治疗或预防与二肽基肽酶-IV酶有关的疾病，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制药组合物以及这些化合物和组合物在预防或治疗与二肽基肽酶-IV酶有关的这些疾病中的使用。
• Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
  作者：Scott D. Edmondson、Anthony Mastracchio、Jason M. Cox、George J. Eiermann、Huaibing He、Kathryn A. Lyons、Reshma A. Patel、Sangita B. Patel、Aleksandr Petrov、Giovanna Scapin、Joseph K. Wu、Shiyao Xu、Bing Zhu、Nancy A. Thornberry、Ranabir Sinha Roy、Ann E. Weber

  DOI：10.1016/j.bmcl.2009.06.011

  日期：2009.8

  A new series of DPP-4 inhibitors derived from piperidine-fused benzimidazoles and imidazopyridines is described. Optimization of this class of DPP-4 inhibitors led to the discovery of imidazopyridine 34. The potency, selectivity, cross-species DMPK profiles, and in vivo efficacy of 34 is reported. (C) 2009 Elsevier Ltd. All rights reserved.
• WO2006/58064
  申请人：——

  公开号：——

  公开（公告）日：——