(+/-)-(2R,3S,5R,1'R,2'S)-2-(1-Acetamido-2-hydroxy)pentyl-3-(cis-propen-1-yl)-pyrrolidine-5-carboxylic Acid Trifluoroacetic Acid Salt | 335680-82-5

• 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: (+/-)-(2R,3S,5R,1'R,2'S)-2-(1-Acetamido-2-hydroxy)pentyl-3-(cis-propen-1-yl)-pyrrolidine-5-carboxylic Acid Trifluoroacetic Acid Salt
• 英文别名: (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxypentyl]-4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
• CAS: 335680-82-5
• 化学式: C₂HF₃O₂*C₁₅H₂₆N₂O₄
• 分子量: 412.406
• InChiKey: CFTMXUSFDGYZJT-LYGKNQSHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  136
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  三氟乙酸 、 ditert-butyl (2R,4S,5R)-5-[(1R,2S)-1-acetamido-2-hydroxypentyl]-4-[(Z)-prop-1-enyl]pyrrolidine-1,2-dicarboxylate 以 二氯甲烷 为溶剂， 生成 (+/-)-(2R,3S,5R,1'R,2'S)-2-(1-Acetamido-2-hydroxy)pentyl-3-(cis-propen-1-yl)-pyrrolidine-5-carboxylic Acid Trifluoroacetic Acid Salt
  参考文献：
  名称：

  Synthesis of potent pyrrolidine influenza neuraminidase inhibitors

  摘要：

  The synthesis of several pyrrolidine inhibitor analogs is described that possess nanomolar in vitro potencies against the neuraminidase enzymes expressed by the B/Memphis/3/89 and A/N1/PR/8/34 influenza strains. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.048

文献信息

• Synthesis of potent pyrrolidine influenza neuraminidase inhibitors
  作者：A. Chris Krueger、Yibo Xu、Warren M. Kati、Dale J. Kempf、Clarence J. Maring、Keith F. McDaniel、Akhteruzzaman Molla、Debra Montgomery、William E. Kohlbrenner

  DOI：10.1016/j.bmcl.2008.01.048

  日期：2008.3

  The synthesis of several pyrrolidine inhibitor analogs is described that possess nanomolar in vitro potencies against the neuraminidase enzymes expressed by the B/Memphis/3/89 and A/N1/PR/8/34 influenza strains. (C) 2008 Elsevier Ltd. All rights reserved.