N-[5(S)-3-[4-(1-cyanocyclopropan-1-yl)-3-(pyridin-3-yl)phenyl]-2-oxooxazolidin-5-ylmethyl]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-[5(S)-3-[4-(1-cyanocyclopropan-1-yl)-3-(pyridin-3-yl)phenyl]-2-oxooxazolidin-5-ylmethyl]acetamide
• 英文别名: N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• 化学式: C₂₁H₂₀N₄O₃
• 分子量: 376.415
• InChiKey: CBTIPAJKRLQBKX-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  95.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-[5(S)-3-[3-bromo-4-(1-cyanocyclopropan-1-yl)phenyl]-2-oxooxazolidin-5-ylmethyl]acetamide 、 二乙基(3-吡啶基)-硼烷 生成 N-[5(S)-3-[4-(1-cyanocyclopropan-1-yl)-3-ethylphenyl]-2-oxooxazolidin-5-ylmethyl]acetamide 、 N-[5(S)-3-[4-(1-cyanocyclopropan-1-yl)-3-(pyridin-3-yl)phenyl]-2-oxooxazolidin-5-ylmethyl]acetamide
  参考文献：
  名称：

  CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF

  摘要：

  这项发明涉及新的含有环丙基基团的噁唑烷酮类化合物，这些化合物对包括多耐药葡萄球菌、链球菌和肠球菌、拟杆菌属、梭菌属等好氧菌和厌氧菌，以及结核分枝杆菌和其他分枝杆菌属等抗酸菌有效。这些化合物由结构式I表示：1其对应的手性异构体、对映异构体或药用可接受的盐或酯。

  公开号：

  US20030225107A1

文献信息

• CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF
  申请人：Merck & Co., Inc.

  公开号：EP1448536A1

  公开（公告）日：2004-08-25
• US6686363B2
  申请人：——

  公开号：US6686363B2

  公开（公告）日：2004-02-03
• [EN] CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF<br/>[FR] ANTIBIOTIQUES DE TYPE OXAZOLIDINONE CONTENANT DE L'HEXANE CYCLOPROPYLE ET DERIVES DE CEUX-CI
  申请人：MERCK & CO INC

  公开号：WO2003048136A1

  公开（公告）日：2003-06-12

  This invention relates to new oxazolidinones having a cyclopropyl moiety, which are effective against aerobic and anerobic pathogens such as multi-resistant staphylococci, streptococci and enterococci, Bacteroides spp., Clostridia spp. species, as well as acid-fast organisms such as Mycobacterium tuberculosis and other mycobacterial species. The compounds are represented by structural formula (I): its enantiomer, diastereomer, or pharmaceutically acceptable salt or ester thereof.
• CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF
  申请人：——

  公开号：US20030225107A1

  公开（公告）日：2003-12-04

  This invention relates to new oxazolidinones having a cyclopropyl moiety, which are effective against aerobic and anerobic pathogens such as multi-resistant staphylococci, streptococci and enterococci, Bacteroides spp., Clostridia spp. species, as well as acid-fast organisms such as Mycobacterium tuberculosis and other mycobacterial species. The compounds are represented by structural formula I: 1 its enantiomer, diastereomer, or pharmaceutically acceptable salt or ester thereof.

  这项发明涉及新的含有环丙基基团的噁唑烷酮类化合物，这些化合物对包括多耐药葡萄球菌、链球菌和肠球菌、拟杆菌属、梭菌属等好氧菌和厌氧菌，以及结核分枝杆菌和其他分枝杆菌属等抗酸菌有效。这些化合物由结构式I表示：1其对应的手性异构体、对映异构体或药用可接受的盐或酯。