2-[[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]methyl]-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropane-1-carboxamide | 852237-26-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]methyl]-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropane-1-carboxamide
• CAS: 852237-26-4
• 化学式: C₅₆H₉₂FN₅O₁₆
• 分子量: 1110.37
• InChiKey: AFHVITVBCVXPOX-LDMRSTHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  78
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  251
• 氢给体数：
  6
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  N’-去甲基阿奇霉素 、 N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-formylcyclopropane-1-carboxamide 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 2.0h， 以89%的产率得到2-[[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]methyl]-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropane-1-carboxamide
  参考文献：
  名称：

  [EN] BIFUNCTIONAL MACROLIDE HETEROCYCLIC COMPOUNDS ANS METHODS OF MAKING AND USING THE SAME
  [FR] COMPOSES HETEROCYCLIQUES MACROLIDES BIFONCTIONNELS ET LEURS PROCEDES DE FABRICATION ET D'UTILISATION

  摘要：

  本发明涉及抗感染、抗增殖、抗炎和促动力药剂领域。更具体地，本发明涉及一类双功能化合物家族，可用作治疗剂。这些化合物既具有大环内酯环，又具有至少一个杂环基团。本发明还涉及制备这些化合物的方法，制备中有用的中间体，将这些化合物用作治疗剂的用途，以及包含它们的制药组合物。

  公开号：

  WO2005049632A1

文献信息

• Bifunctional Macrolide Heterocyclic Compounds and Methods of Making and Using the Same
  申请人：Farmer J. Jay

  公开号：US20070270357A1

  公开（公告）日：2007-11-22

  The present invention relates generally to the field of anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents. More particularly, the invention relates to a family of bifunctional compounds useful as therapeutic agents. These compounds have both a macrolide ring and at least one heterocyclic moiety. The present invention further relates to processes for the preparation of such compounds, to intermediates useful in their preparation, to the use of the compounds as therapeutic agents, and to pharmaceuticals compositions containing them.
• [EN] BIFUNCTIONAL MACROLIDE HETEROCYCLIC COMPOUNDS ANS METHODS OF MAKING AND USING THE SAME<br/>[FR] COMPOSES HETEROCYCLIQUES MACROLIDES BIFONCTIONNELS ET LEURS PROCEDES DE FABRICATION ET D'UTILISATION
  申请人：RIB X PHARMACEUTICALS INC

  公开号：WO2005049632A1

  公开（公告）日：2005-06-02

  The present invention relates generally to the field of anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents. More particularly, the invention relates to a family of bifunctional compounds useful as therapeutic agents. These compounds have both a macrolide ring and at least one heterocyclic moiety. The present invention further relates to processes for the preparation of such compounds, to intermediates useful in their preparation, to the use of the compounds as therapeutic agents, and to pharmaceuticals compositions containing them.

  本发明涉及抗感染、抗增殖、抗炎和促动力药剂领域。更具体地，本发明涉及一类双功能化合物家族，可用作治疗剂。这些化合物既具有大环内酯环，又具有至少一个杂环基团。本发明还涉及制备这些化合物的方法，制备中有用的中间体，将这些化合物用作治疗剂的用途，以及包含它们的制药组合物。