(S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-pyrrolidin-1-yl)-ethanone | 869481-95-8

• 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: (S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
• 英文别名: (2S)-2-amino-2-cyclohexyl-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanone
• CAS: 869481-95-8
• 化学式: C₁₂H₂₀F₂N₂O
• 分子量: 246.3
• InChiKey: KSMDMFVYXQVQCE-MXWKQRLJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Boc-L-环己基甘氨酸 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 (S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
  参考文献：
  名称：

  New fluorinated pyrrolidine and azetidine amides as dipeptidyl peptidase IV inhibitors

  摘要：

  Cyclohexylglycine amides of various fluorinated pyrrolidines and azetidines were prepared and tested for activity against dipeptidyl peptidase IV and in vivo in the KK mouse model of type 2 diabetes. The tetrafluoropyrrolidide, cis-3,4-difluoropyrrolidide and the fluorinated azetidides displayed unexpectedly strong activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.026

文献信息

• New fluorinated pyrrolidine and azetidine amides as dipeptidyl peptidase IV inhibitors
  作者：Bernard Hulin、Shawn Cabral、Michael G. Lopaze、Maria A. Van Volkenburg、Kim M. Andrews、Janice C. Parker

  DOI：10.1016/j.bmcl.2005.07.026

  日期：2005.11

  Cyclohexylglycine amides of various fluorinated pyrrolidines and azetidines were prepared and tested for activity against dipeptidyl peptidase IV and in vivo in the KK mouse model of type 2 diabetes. The tetrafluoropyrrolidide, cis-3,4-difluoropyrrolidide and the fluorinated azetidides displayed unexpectedly strong activity. (c) 2005 Elsevier Ltd. All rights reserved.