7-((4aS,7aS)-1-((1-(4-((tert-butyldimethylsilyl)oxy)-4,4-bis(diethoxyphosphoryl)butyl)-1H-1,2,3-triazol-4-yl)methyl)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1357006-69-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-((4aS,7aS)-1-((1-(4-((tert-butyldimethylsilyl)oxy)-4,4-bis(diethoxyphosphoryl)butyl)-1H-1,2,3-triazol-4-yl)methyl)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• CAS: 1357006-69-9
• 化学式: C₄₂H₆₇FN₆O₁₁P₂Si
• 分子量: 941.059
• InChiKey: QQFNCVVXSFZNGK-WHMAPKLYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  7-((4aS,7aS)-1-((1-(4-((tert-butyldimethylsilyl)oxy)-4,4-bis(diethoxyphosphoryl)butyl)-1H-1,2,3-triazol-4-yl)methyl)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 在 三甲基溴硅烷 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 144.0h， 以97%的产率得到7-[(4aS,7aS)-1-[[1-(4-hydroxy-4,4-diphosphonobutyl)triazol-4-yl]methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis of osteotropic hydroxybisphosphonate derivatives of fluoroquinolone antibacterials

  摘要：

  1-Hydroxybisphosphonate derivatives of ciprofloxacin, gatifloxacin and moxifloxacin have been synthesized using Cu(I) catalyzed azide-alkyne 1,3-dipolar cycloaddition reaction. The 1,2,3-triazol linked hydroxybisphosphonate derivative of ciprofloxacin exhibited antibacterial activity comparable to the parent antibiotic and all fluoroquinolone-bisphosphonates displayed osteotropic properties in a bone model. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.10.049
• 作为产物：
  描述：

  [4-azido-1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]butylidene]bis-phosphonic acid tetraethyl ester 、 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-((4aS,7aS)-1-(prop-2-yn-1-yl)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-1,4-dihydroquinoline-3-carboxylic acid 在 copper(l) iodide 、 三乙胺 、 硫化氢 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 4.03h， 以52%的产率得到7-((4aS,7aS)-1-((1-(4-((tert-butyldimethylsilyl)oxy)-4,4-bis(diethoxyphosphoryl)butyl)-1H-1,2,3-triazol-4-yl)methyl)octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis of osteotropic hydroxybisphosphonate derivatives of fluoroquinolone antibacterials

  摘要：

  1-Hydroxybisphosphonate derivatives of ciprofloxacin, gatifloxacin and moxifloxacin have been synthesized using Cu(I) catalyzed azide-alkyne 1,3-dipolar cycloaddition reaction. The 1,2,3-triazol linked hydroxybisphosphonate derivative of ciprofloxacin exhibited antibacterial activity comparable to the parent antibiotic and all fluoroquinolone-bisphosphonates displayed osteotropic properties in a bone model. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.10.049

文献信息

• Solid-phase Parallel Synthesis of a Novel N-[Alkylsulfonamido-spiro(2H-1-benzopyran-2,4-piperidine)-6-yl] substituted Amide and Amine Drug-like Libraries
  作者：Ji-Hye Kim、Young-Dae Gong、Gee-Hyung Lee、Jin-Soo Seo

  DOI：10.5012/bkcs.2012.33.1.128

  日期：2012.1.20

  N-[alkylsulfonamido-spiro(2H-1-benzopyran-2,4-piperidine)-6-yl] substituted amide 1A and amine 1B analogues.Key Words : Spiro(2H-1-benzopyran-2,4-piperidine)-6-yl derivatives, Solid-phase parallel synthesis, Drug-like benzopyran core skeleton IntroductionHeterocyclic compounds provide scaffolds on whichpharmacophores can be arranged to yield potent andselective drugs, and a variety of heterocycles have beensynthesized

  Center for Drug Discovery Platform Technology, Korea Research Institute of Chemical Technology, Daejeon 305-600, Korea 2011 年 11 月 1 日收稿 2011 年 11 月 11 日接受我们报告了 222 个新型 N-[烷基磺酰胺-螺(2H-1-苯并吡喃-2,4-哌啶)-6-基]取代的酰胺1A和胺1B衍生物。聚合物结合的N-[烷基磺酰胺-螺(2H-1-苯并吡喃-2,4-哌啶)-6-基]取代的酰胺9和胺10衍生物是通过与各种酰氯和烷基卤化物的第一多样性生成获得的。树脂 9 和 10 与取代的磺酰氯的进一步反应产生了所需的 N-[烷基磺酰胺基-螺(2H-1-苯并吡喃-2,4-哌啶)-6-基] 取代的酰胺 1A 和胺 1B 类似物。关键词：螺(2H-1-苯并吡喃-2,4-哌啶)-6-基衍生物，