(3R)-3-amino-1-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one | 1395395-82-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (3R)-3-amino-1-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
• CAS: 1395395-82-0
• 化学式: C₂₆H₃₂F₃N₅O₂
• 分子量: 503.568
• InChiKey: PQBMPUQYJGLDHI-HXUWFJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  73.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 甲醇 、 乙醚 为溶剂， 生成 (3R)-3-amino-1-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
  参考文献：
  名称：

  Dipeptidyl peptidase-4 inhibitor with β-amino amide scaffold: Synthesis, SAR and biological evaluation

  摘要：

  Inhibitors of dipeptidyl peptidase-4 (DPP4) have been shown to be effective treatments for type 2 diabetes. Several series of beta-amino amide containing piperazine derivatives have been prepared and evaluated as a inhibitor of DPP4. Finally compound 5m was selected for further evaluation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.019

文献信息

• Dipeptidyl peptidase-4 inhibitor with β-amino amide scaffold: Synthesis, SAR and biological evaluation
  作者：Heung Jae Kim、Woo Young Kwak、Jong Pil Min、Si Young Sung、Ha Dong Kim、Mi Kyung Kim、Hae Sun Kim、Kyung Jin Park、Moon Ho Son、Soon Hoe Kim、Bong Jin Lee

  DOI：10.1016/j.bmcl.2012.07.019

  日期：2012.9

  Inhibitors of dipeptidyl peptidase-4 (DPP4) have been shown to be effective treatments for type 2 diabetes. Several series of beta-amino amide containing piperazine derivatives have been prepared and evaluated as a inhibitor of DPP4. Finally compound 5m was selected for further evaluation. (C) 2012 Elsevier Ltd. All rights reserved.