3-(4-(1-(2,2-dimethyl-1,3-dioxolan-4(S)-ylcarbonyl)-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(R)-(N-(t-butoxycarbonyl)pyridazin-3-ylaminomethyl)oxazolidin-2-one | 264600-83-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(4-(1-(2,2-dimethyl-1,3-dioxolan-4(S)-ylcarbonyl)-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(R)-(N-(t-butoxycarbonyl)pyridazin-3-ylaminomethyl)oxazolidin-2-one
• 英文别名: 3-(4-(1-(2,2-Dimethyl-1,3-dioxolan-4(S)-ylcarbonyl)-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(R)-(N-(t-butoxycarbonyl)pyridazin-3ylaminomethyl)oxazolidin-2-one；tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-pyridazin-3-ylcarbamate
• CAS: 264600-83-1
• 化学式: C₃₀H₃₅F₂N₅O₇
• 分子量: 615.634
• InChiKey: NOUQZXIKNULSCG-OFNKIYASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  3-(4-(1-(2(S)-3-dihydroxypropanoyl)-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(S)-pyrazin-2-ylaminomethyloxazolidin-2-one 、 吡嗪-3-甲基-氨基甲酸叔丁酯 、 吡嗪 、 乙酸乙酯 以 二氯甲烷 为溶剂， 反应 4.0h， 以to give the desired product (315 mg)的产率得到3-(4-(1-(2,2-dimethyl-1,3-dioxolan-4(S)-ylcarbonyl)-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)-5(R)-(N-(t-butoxycarbonyl)pyridazin-3-ylaminomethyl)oxazolidin-2-one
  参考文献：
  名称：

  Heterocyclylaminomethyloxazo-lidinones as antibacterials

  摘要：

  式(I)1的化合物，或其药学上可接受的盐，或其体内可水解的酯，其中，例如，HET是一个含有2至4个独立选择自N、O和S的杂原子的选项性取代的C-连接的5元杂芳基环；Q选择自例如Q3和Q5；R2和R3独立地为氢或氟；T选择自一系列基团，例如，一个N-连接的（完全不饱和的）5元杂芳基环系统或一个公式（TC5）的基团：其中Rc是，例如，R13CO—，R13SO2—或R13CS—；其中R13是，例如，选项性取代的（1-10C）烷基或R14C(O)O(1-6C)烷基，其中R14是选项性取代的（1-10C）烷基；这些化合物可用作抗菌剂；描述了其制造过程和含有它们的药物组合物。

  公开号：

  US20030207899A1

文献信息

• Heterocyclylaminomethyloxazolidinones as antibacterials
  申请人：AstraZeneca AB

  公开号：US07087629B2

  公开（公告）日：2006-08-08

  Compounds of formula (I) or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, wherein, for example, HET is an optionally substituted C-linked 5-membered heteroaryl ring containing 2 to 4 heteroatoms independently selected from N, O and S; Q is selected from, for example, Q3 and Q5; R2 and R3 are independently hydrogen or fluoro; T is selected from a range of groups, for example, an N-linked (fully unsaturated) 5-membered heteroaryl ring system or a group of formula (TC5): wherein Rc is, for example, R13CO—, R13SO2— or R13CS—; wherein R13 is, for example, optionally substituted (1–10C)alkyl or R14C(O)O(1–6C)alkyl wherein R14 is optionally substituted (1–10C)alkyl; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.

  化合物的公式（I）或其药学上可接受的盐或其体内水解酯，其中，例如，HET是一个可选取的含有2-4个杂原子（独立选择自N、O和S）的C-连接的5元杂环芳基环；Q选自Q3和Q5等；R2和R3独立地是氢或氟；T选自一系列基团，例如，一个N-连接的（完全不饱和的）5元杂环芳基环系统或一个公式为（TC5）的基团：其中Rc是例如R13CO—、R13SO2—或R13CS—；其中R13是例如可选取的取代的（1-10C）烷基或R14C（O）O（1-6C）烷基，其中R14是可选取的取代的（1-10C）烷基；它们可用作抗菌剂；并描述了制造它们的过程和含有它们的制药组合物。
• HETEROCYCLYLAMINOMETHYLOXAZOLIDINONES AS ANTIBACTERIALS
  申请人：AstraZeneca AB

  公开号：EP1121358A1

  公开（公告）日：2001-08-08
• US6734200B1
  申请人：——

  公开号：US6734200B1

  公开（公告）日：2004-05-11
• US7087629B2
  申请人：——

  公开号：US7087629B2

  公开（公告）日：2006-08-08
• [EN] HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES AS ANTIBACTERIALS<br/>[FR] HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES COMME AGENTS ANTIBACTERIENS
  申请人：ZENECA LTD

  公开号：WO2000021960A1

  公开（公告）日：2000-04-20

  Compounds of formula (I), or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, wherein, for example, HET is an optionally substituted C-linked 5-membered heteroaryl ring containing 2 to 4 heteroatoms independently selected from N, O and S; Q is selected from, for example, Q1 and Q2: R?2 and R3¿ are independently hydrogen or fluoro; T is selected from a range of groups, for example, an N-linked (fully unsaturated) 5-membered heteroaryl ring system or a group of formula (TC5): wherein Rc is, for example, R?13CO-, R13SO¿2- or R13CS-; wherein R13 is, for example, optionally substituted (1-10C)alkyl or R14C(O)O(1-6C)alkyl wherein R14 is optionally substituted (1-10C)alkyl; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.