(5R)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one | 344459-61-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: (5R)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
• CAS: 344459-61-6
• 化学式: C₂₀H₁₇FN₄O₄
• 分子量: 396.378
• InChiKey: KRYLYHWZXKNRAL-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  80.9
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (5R)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 (5R)-3-(3-fluoro-4-pyrrolo[3,4-b]pyridin-6-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
  参考文献：
  名称：

  Antibacterial activity of pyrrolopyridine-substituted oxazolidinones: synthesis and in vitro SAR of various C-5 acetamide replacements

  摘要：

  A series of pyrrolopyridine-substituted oxazolidinones containing various C-5 acetamide isosteres was synthesized and the structure-antibacterial activity relationships determined against a representative panel of susceptible and resistant Gram-positive bacteria. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.023
• 作为产物：
  描述：

  3,4-二氟硝基苯 在 palladium on activated charcoal 正丁基锂 、 甲酸铵 、 sodium hydride 、 碳酸氢钠 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 (5R)-3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
  参考文献：
  名称：

  Antibacterial activity of pyrrolopyridine-substituted oxazolidinones: synthesis and in vitro SAR of various C-5 acetamide replacements

  摘要：

  A series of pyrrolopyridine-substituted oxazolidinones containing various C-5 acetamide isosteres was synthesized and the structure-antibacterial activity relationships determined against a representative panel of susceptible and resistant Gram-positive bacteria. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.023

文献信息

• Antibacterial activity of pyrrolopyridine-substituted oxazolidinones: synthesis and in vitro SAR of various C-5 acetamide replacements
  作者：Steven D. Paget、Christine M. Boggs、Barbara D. Foleno、Raul M. Goldschmidt、Dennis J. Hlasta、Michele A. Weidner-Wells、Harvey M. Werblood、Karen Bush、Mark J. Macielag

  DOI：10.1016/j.bmcl.2006.06.023

  日期：2006.9

  A series of pyrrolopyridine-substituted oxazolidinones containing various C-5 acetamide isosteres was synthesized and the structure-antibacterial activity relationships determined against a representative panel of susceptible and resistant Gram-positive bacteria. (c) 2006 Elsevier Ltd. All rights reserved.