Ditert-butyl 5-(1-cyclopropyl-6-fluoro-8-methoxy-3-methoxycarbonyl-4-oxoquinolin-7-yl)-1,2,5-triazepane-1,2-dicarboxylate | 952153-71-8

• 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: Ditert-butyl 5-(1-cyclopropyl-6-fluoro-8-methoxy-3-methoxycarbonyl-4-oxoquinolin-7-yl)-1,2,5-triazepane-1,2-dicarboxylate
• CAS: 952153-71-8
• 化学式: C₂₉H₃₉FN₄O₈
• 分子量: 590.649
• InChiKey: MQCZVBCDYIZSHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Ditert-butyl 5-(1-cyclopropyl-6-fluoro-8-methoxy-3-methoxycarbonyl-4-oxoquinolin-7-yl)-1,2,5-triazepane-1,2-dicarboxylate 在 三氟乙酸 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.5h， 生成 Methyl 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(1,2,5-triazepan-5-yl)quinoline-3-carboxylate
  参考文献：
  名称：

  NOVEL COMPOUND HAVING HETEROCYCLIC RING

  摘要：

  公开号：

  EP2009012B1
• 作为产物：
  描述：

  二叔丁基叠氮草酸 、 Methyl 7-[bis(2-methylsulfonyloxyethyl)amino]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.75h， 以38%的产率得到Ditert-butyl 5-(1-cyclopropyl-6-fluoro-8-methoxy-3-methoxycarbonyl-4-oxoquinolin-7-yl)-1,2,5-triazepane-1,2-dicarboxylate
  参考文献：
  名称：

  NOVEL COMPOUND HAVING HETEROCYCLIC RING

  摘要：

  公开号：

  EP2009012B1

文献信息

• Antimicrobial oxazolidinone derivatives
  申请人：Research Foundation Itsuu Laboratory

  公开号：EP2181993A1

  公开（公告）日：2010-05-05

  A compound of the formula: or a pharmaceutically acceptable salt or solvate thereof, wherein Ring A is (A-1) at least 7-membered monocyclic hetero ring containing at least three N atoms; (A-2) at least 6-membered monocyclic hetero ring containing at least two N atoms and at least one O atom; or (A-3) at least 7-membered monocyclic hetero ring containing at least two N atoms and at least one S atom, wherein said monocyclic hetero ring is optionally substituted, and said monocyclic hetero ring is optionally condensed with another ring, X1 is a single bond, or a hetero atom-containing group selected from the group consisting of -O-, -S-, -NR2-, -CO-, -CS-, -CONR3-, -NR4CO-, -SO2NR5-, and -NR6SO2-, wherein R2, R3, R4, R5 and R6 are independently hydrogen or lower alkyl, or lower alkylene or lower alkenylene each optionally interrupted by said hetero atom-containing group; Ring B is optionally substituted carbocycle or optionally substituted heterocycle; R1 is hydrogen, or an organic residue which is able to bind to the 5-position of oxazolidinone ring in oxazolidinone antimicrobial agent.

  式中的化合物： 或其药学上可接受的盐或溶液，其中 环 A 是 (A-1) 至少含有三个 N 原子的 7 元单环杂环； (A-2) 至少含有两个 N 原子和至少一个 O 原子的 6 元单环杂环；或 (A-3) 至少含有两个 N 原子和至少一个 S 原子的 7 元单环杂环，其中所述单环杂环任选被取代，且所述单环杂环任选与另一个环缩合、 X1为单键，或选自-O-、-S-、-NR2-、-CO-、-CS-、-CONR3-、-NR4CO-、-SO2NR5-和-NR6SO2-组成的含杂原子基团，其中 R2、R3、R4、R5 和 R6 独立地为氢或低级烷基，或低级亚烷基或低级亚烯基，各自任选被所述含杂原子基团打断； 环 B 是任选取代的碳环或任选取代的杂环； R1 是氢，或能够与噁唑烷酮抗菌剂中噁唑烷酮环的 5 位结合的有机残基。
• Antimicrobial compounds
  申请人：Research Foundation Itsuu Laboratory

  公开号：EP2181994A1

  公开（公告）日：2010-05-05

  A compound of the formula: or a pharmaceutically acceptable salt or solvate thereof, wherein Y1 is NP2 or O; P1 and P2 are independently hydrogen, acyl group or an amino protecting group; R11 is hydrogen, acyl group or an amino protecting group, provided that -CO(CH2)3-CO2H, -Ph and -CH2Ph (Ph: phenyl) are excluded.

  式中的化合物： 或其药学上可接受的盐或溶液、 其中 Y1 是 NP2 或 O P1 和 P2 独立地为氢、酰基或氨基保护基团； R11 是氢、酰基或氨基保护基团，但不包括-CO(CH2)3-CO2H、-Ph 和 - Ph（Ph：苯基）。
• Novel Compound Having Heterocyclic Ring
  申请人：Suzuki Hideyuki

  公开号：US20090299059A1

  公开（公告）日：2009-12-03

  The invention provides a novel oxazolidinone derivative represented by the formula (I): wherein Ring A is optionally substituted or fused and represents (A-1) at least 7-membered monocyclic hetero ring containing at least three N atoms; (A-2) at least 6-membered monocyclic hetero ring containing at least two N atoms and at least one O atom; or (A-3) at least 7-membered monocyclic hetero ring containing at least two N atoms and at least one S atom; X 1 is a single bond, —O—, —S—, —NR 2 —, —CO—, —CS—, —CONR 3 —, —NR 4 CO—, —SO 2 NR 5 —, and —NR 6 SO 2 — (wherein R 2 -R 6 are independently hydrogen or lower alkyl), or lower alkylene or lower alkenylene in which one of the preceding groups may intervene; Ring B is optionally substituted carbocycle or optionally substituted heterocycle; R 1 is hydrogen, or an organic residue which is able to bind to the 5-position of oxazolidinone ring in oxazolidinone antimicrobial agent, and an antibacterial agent containing the same.
• US8148362B2
  申请人：——

  公开号：US8148362B2

  公开（公告）日：2012-04-03