2,2-difluoro-N-({(5S)-3-[3-fluoro-4-(4-glycoloylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)ethanethioamide | 612036-84-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2,2-difluoro-N-({(5S)-3-[3-fluoro-4-(4-glycoloylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)ethanethioamide
• 英文别名: 2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
• CAS: 612036-84-7
• 化学式: C₁₈H₂₁F₃N₄O₄S
• 分子量: 446.45
• InChiKey: AMIALRKICLJZBM-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2,2-difluoro-N-({(5S)-3-[3-fluoro-4-(4-glycoloylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)ethanethioamide 在 selenium(IV) oxide 、 双氧水 作用下， 以 甲醇 、 水 为溶剂， 反应 0.58h， 生成 (5S)-5-{[(2,2-difluoro-1-sulfinylethyl)amino]methyl}-3-[3-fluoro-4-(4-glycoloylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
  参考文献：
  名称：

  [EN] GLYCOLOYL-SUBSTITUTED OXAZOLIDINONE-DERIVATIVES AS ANTIBACTERIAL AGENTS
  [FR] DERIVES D'OXAZOLIDINONE GLYCOLOYL-SUBSTITUEE UTILISES COMME AGENTS ANTI-BACTERIEN

  摘要：

  本发明描述了一种具有甘氨酰哌嗪取代基的二氟硫代乙酰胺噁唑啉酮I式化合物，作为新型抗菌剂，以及用于对抗由革兰氏阳性和革兰氏阴性细菌引起的感染性疾病的抗微生物联合治疗。

  公开号：

  WO2004002479A1
• 作为产物：
  描述：

  2-{4-[4-((5S)-5-{[(2,2-difluoroethanethiolyl)-amino]methyl}-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]piperazin-1-yl}-2-oxoethyl acetate 在 甲醇 、 水 、 potassium carbonate 、 potassium hydrogensulfate 作用下， 以 水 为溶剂， 反应 1.0h， 生成 2,2-difluoro-N-({(5S)-3-[3-fluoro-4-(4-glycoloylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)ethanethioamide
  参考文献：
  名称：

  [EN] GLYCOLOYL-SUBSTITUTED OXAZOLIDINONE-DERIVATIVES AS ANTIBACTERIAL AGENTS
  [FR] DERIVES D'OXAZOLIDINONE GLYCOLOYL-SUBSTITUEE UTILISES COMME AGENTS ANTI-BACTERIEN

  摘要：

  本发明描述了一种具有甘氨酰哌嗪取代基的二氟硫代乙酰胺噁唑啉酮I式化合物，作为新型抗菌剂，以及用于对抗由革兰氏阳性和革兰氏阴性细菌引起的感染性疾病的抗微生物联合治疗。

  公开号：

  WO2004002479A1

文献信息

• [EN] OXAZOLIDINONE COMPOUNDS AND COMPOSITIONS AND METHODS RELATED THERETO<br/>[FR] COMPOSES OXAZOLIDINONE ET COMPOSITIONS ET METHODES ASSOCIEES
  申请人：FERRER INT

  公开号：WO2006010756A1

  公开（公告）日：2006-02-02

  The invention provides new oxazolidinones of formula (I), where R1, R2, R3 and R4 are independently selected from hydrogen, F and Cl; A is selected from certain heterocycles optionally substituted; X is selected from O, S, NRs and CR8Rg; Y is selected from O, S, SO, SO2, NO, NR11 and CR11R12; and n is selected from 0 and 1. The invention also provides different processes for the preparation of such compounds. Oxazolidinone compounds of formula (I) are active against Gram-positive and some Gram-negative human and veterinary pathogens with a weak monoamine oxidase (MAO) inhibitory activity. They are useful for the treatment of bacterial infections.

  该发明提供了新的氧氮杂环酮化合物，其化学式为（I），其中R1、R2、R3和R4分别选自氢、F和Cl；A选自某些可选取代的杂环；X选自O、S、NRs和CR8Rg；Y选自O、S、SO、SO2、NO、NR11和CR11R12；n选自0和1。该发明还提供了制备这类化合物的不同方法。化学式（I）的氧氮杂环酮化合物对革兰氏阳性和一些革兰氏阴性的人类和兽医病原体具有弱的单胺氧化酶（MAO）抑制活性。它们对细菌感染的治疗具有用处。
• Difluorothioacetamides of oxazolidinones with a glycoloylpiperazine substituent
  申请人：——

  公开号：US20040072842A1

  公开（公告）日：2004-04-15

  The present invention describes difluororthioacetamide oxazolidinones with a glycoloylpiperazine substituent as novel antibacterial agents, and antimicrobial combination therapies for combating infective diseases caused by gram-positive and gram-negative bacteria.

  本发明描述了具有甘氨酰哌嗪取代基的二氟硫代乙酰胺噁唑啉作为新型抗菌剂，以及用于对抗由革兰氏阳性和革兰氏阴性细菌引起的感染性疾病的抗微生物组合疗法。
• Oxazolidinone Compounds and Compositions and Methods Related Thereto
  申请人：Cano Montserrat

  公开号：US20090005369A1

  公开（公告）日：2009-01-01

  The invention provides new oxazolidinones of formula (I), where R1, R2, R3 and R4 are independently selected from H, F and Cl; A is certain heterocycles optionally substituted; X is selected from O, S, NR8 and CR8R9; R8 and R9 having different meanings; Y is selected from O, S, SO, SO2, NO, NR11 and CR11R12; R11 and R12 having different meanings; and n is selected from 0 and 1. It also provides different processes for the preparation of such compounds. Oxazolidinones compounds of formula (I) are active against Gram-positive and some Gram-negative human and veterinary pathogens with a weak monoamine oxidase (MAO) inhibitory activity. They are useful for the treatment of bacterial infections.

  本发明提供了式(I)的新型噁唑烷酮，其中R1、R2、R3和R4独立地选自H、F和Cl；A是某些杂环，可选地被取代；X选自O、S、NR8和CR8R9；R8和R9具有不同的含义；Y选自O、S、SO、SO2、NO、NR11和CR11R12；R11和R12具有不同的含义；n选自0和1。本发明还提供了制备这种化合物的不同方法。式(I)的噁唑烷酮化合物对革兰氏阳性和一些革兰氏阴性的人类和兽医病原体具有弱的单胺氧化酶（MAO）抑制活性。它们对治疗细菌感染有用。
• METHODS OF REDUCING MICROBIAL CONTAMINATION
  申请人：Scholz Matthew T.

  公开号：US20090226541A1

  公开（公告）日：2009-09-10

  Methods of delaying the onset of an infection or preventing an infection caused by a microbial organism in an internal cavity of a subject are provided. Methods of killing or inactivating microorganisms in at least a portion of the urethra of a subject are provided.

  提供了延迟微生物体在主体内部腔引起感染或预防感染的方法。提供了在主体的尿道至少部分区域内杀死或灭活微生物的方法。
• OXAZOLIDINONE COMPOUNDS, AND COMPOSITIONS AND METHODS RELATED THERETO
  申请人：Cano Montserrat

  公开号：US20090062266A1

  公开（公告）日：2009-03-05

  The invention provides new oxazolidinone compounds of formula (I) wherein A is certain heterocycles optionally substituted; R 1 , R 2 , R 3 and R 4 are independently selected from —H and halogen; X is selected from O, S, NR 9 and CR 9 R 10 ; R 9 and R 10 having different meanings; Y is selected from O, S, SO, SO 2 , NO, NR 12 and CR 12 R 13 ; R 12 and R 13 having different meanings. It also provides different processes for the preparation of such compounds. Oxazolidinone compounds of formula (I) are active against Gram-positive and some Gram-negative human and veterinary pathogens with a weak monoamine oxidase (MAO) inhibitory activity. They are useful for the treatment of bacterial infections.

  该发明提供了具有以下结构式（I）的新的噁唑烷酮化合物，其中A是某些杂环，可以选择性地被取代；R1、R2、R3和R4独立地选自-H和卤素；X选自O、S、NR9和CR9R10；R9和R10具有不同的含义；Y选自O、S、SO、SO2、NO、NR12和CR12R13；R12和R13具有不同的含义。它还提供了制备这些化合物的不同方法。结构式（I）的噁唑烷酮化合物对革兰氏阳性和一些革兰氏阴性人类和兽医病原体具有较弱的单胺氧化酶（MAO）抑制活性。它们可用于治疗细菌感染。