benzyl (3,5-difluoro-4-morpholinophenyl)carbamate | 168828-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: benzyl (3,5-difluoro-4-morpholinophenyl)carbamate
• 英文别名: N-carbobenzyloxy-3,5-difluoro-4-morpholinyl aniline；benzyl N-(3,5-difluoro-4-morpholin-4-ylphenyl)carbamate
• CAS: 168828-77-1
• 化学式: C₁₈H₁₈F₂N₂O₃
• 分子量: 348.349
• InChiKey: DCISXLVYDQHFNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzyl (3,5-difluoro-4-morpholinophenyl)carbamate 在 sodium azide 、 三乙胺 、 三苯基膦 、 lithium tert-butoxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 35.5h， 生成 (S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholinophenyl)oxazolidin-2-one
  参考文献：
  名称：

  [EN] OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS
  [FR] COMPOSÉS OXAZOLIDINONE ET PROCÉDÉS D'UTILISATION DE CES DERNIERS EN TANT QU'AGENTS ANTIBACTÉRIENS

  摘要：

  本发明涉及式(I)的噁唑烷酮化合物及其药学上可接受的盐，其中A、E和R1如本文所定义。本发明还涉及包含本发明至少一种噁唑烷酮化合物的组合物。该发明还提供了抑制分枝杆菌细胞生长的方法，以及通过给予治疗有效量的本发明的噁唑烷酮和/或其药学上可接受的盐，或包含该化合物和/或盐的组合物来治疗结核分枝杆菌感染的方法。

  公开号：

  WO2017066964A1
• 作为产物：
  描述：

  3,4,5-三氟硝基苯 在 palladium 10% on activated carbon 、 氢气 、 碳酸氢钠 、 potassium carbonate 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 30.0h， 生成 benzyl (3,5-difluoro-4-morpholinophenyl)carbamate
  参考文献：
  名称：

  [EN] OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS
  [FR] COMPOSÉS OXAZOLIDINONE ET PROCÉDÉS D'UTILISATION DE CES DERNIERS EN TANT QU'AGENTS ANTIBACTÉRIENS

  摘要：

  本发明涉及式(I)的噁唑烷酮化合物及其药学上可接受的盐，其中A、E和R1如本文所定义。本发明还涉及包含本发明至少一种噁唑烷酮化合物的组合物。该发明还提供了抑制分枝杆菌细胞生长的方法，以及通过给予治疗有效量的本发明的噁唑烷酮和/或其药学上可接受的盐，或包含该化合物和/或盐的组合物来治疗结核分枝杆菌感染的方法。

  公开号：

  WO2017066964A1

文献信息

• Substituted oxazine and thiazine oxazolidinone antimicrobials
  申请人：Pharmacia & Upjohn Company

  公开号：US05688792A1

  公开（公告）日：1997-11-18

  A compound of structural Formula I: ##STR1## or pharmaceutically acceptable salts thereof wherein: X is O, S, SO, SO.sub.2, SNR.sup.10 or S(O)NR.sup.10 ; R is (a) hydrogen, (b) C.sub.1 -C.sub.8 alkyl optionally substituted with one or more of the following: F, Cl, hydroxy, C.sub.1 -C.sub.8 alkoxy, C.sub.1 -C.sub.8 acyloxy or --O--CH.sub.2 --Ph, (c) C.sub.3 -C.sub.6 cycloalkyl, (d) amino, (e) C.sub.1 -C.sub.8 alkylamino, (f) C.sub.1 -C.sub.8 dialkylamino or (g) C.sub.1 -C.sub.8 alkoxy; R.sup.1 is H, except when X is O then R.sup.1 can be H, CH.sub.3, CN, CO.sub.2 H, CO.sub.2 R or (CH.sub.2).sub.m R.sup.11 (m is 1 or 2); R.sup.2 is independently H, F or Cl; R.sup.3 is H except when X is O and R.sup.1 is CH.sub.3 then R.sup.3 can be H or CH.sub.3 ; R.sup.10 is independently H, C.sub.1 -C.sub.4 alkyl (optionally substituted with chloro, fluoro, hydroxy, C.sub.1 -C.sub.8 alkoxy, amino, C.sub.1 -C.sub.8 alkylamino, or C.sub.1 -C.sub.8 dialkylamino) or p-toluenesulfonyl; R.sup.11 is hydrogen, OH, OR, OCOR, NH.sub.2, NHCOR or N(R.sup.10).sub.2 ; and n is 0, 1 or 2. The oxazine and thiazine oxazolidinone derivatives are useful antimicrobial agents, effective against a number of human and veterinary pathogens, including gram-positive aerobic bacteria such as multiply-resistant staphylococci, streptococci and enterococci as well as anaerobic organisms such as Bacteroides spp. and Clostridia spp. species, and acid-fast organisms such as Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium spp.

  结构式I的化合物：##STR1##或其药学上可接受的盐，其中：X为O，S，SO，SO.sub.2，SNR.sup.10或S（O）NR.sup.10;R为（a）氢，（b）C.sub.1-C.sub.8烷基，可选地取代以下一种或多种：F，Cl，羟基，C.sub.1-C.sub.8烷氧基，C.sub.1-C.sub.8酰氧基或--O--CH.sub.2--Ph，（c）C.sub.3-C.sub.6环烷基，（d）氨基，（e）C.sub.1-C.sub.8烷基氨基，（f）C.sub.1-C.sub.8二烷基氨基或（g）C.sub.1-C.sub.8烷氧基;R.sup.1为H，除非X为O，然后R.sup.1可以是H，CH.sub.3，CN，CO.sub.2H，CO.sub.2R或（CH.sub.2）.sub.mR.sup.11（m为1或2）;R.sup.2是独立的H，F或Cl;R.sup.3为H，除非X为O且R.sup.1为CH.sub.3，然后R.sup.3可以是H或CH.sub.3;R.sup.10是独立的H，C.sub.1-C.sub.4烷基（可选地取代氯，氟，羟基，C.sub.1-C.sub.8烷氧基，氨基，C.sub.1-C.sub.8烷基氨基或C.sub.1-C.sub.8二烷基氨基）或对甲苯磺酰基;R.sup.11为氢，OH，OR，OCOR，NH.sub.2，NHCOR或N（R.sup.10）.sub.2;且n为0、1或2。这些噁唑啉和噻唑噁唑烷衍生物是有用的抗微生物药物，对多种人类和兽医病原体有效，包括革兰阳性的好氧菌，如耐多种抗生素的葡萄球菌，链球菌和肠球菌，以及厌氧菌，如Bacteroides spp.和CloSTridia spp.菌种，以及酸性快速生长的菌，如结核分枝杆菌，鸟型分枝杆菌和分枝杆菌属。
• Oxazolidinone compounds and methods of use thereof as antibacterial agents
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10947205B2

  公开（公告）日：2021-03-16

  The present invention relates to oxazolidinone compounds of Formula (I): and pharmaceutically acceptable salts thereof, wherein A, E, and R1 are as defined herein. The present invention also relates to compositions which comprise at least one oxazolidinone compound of the invention. The invention also provides methods for inhibiting growth of mycobacterial cells as well as a method of treating mycobacterial infections by Mycobacterium tuberculosis comprising administering a therapeutically effective amount of an oxazolidinone of the invention and/or a pharmaceutically acceptable salt thereof, or a composition comprising such compound and/or salt.

  本发明涉及式（I）的噁唑烷酮化合物： 及其药学上可接受的盐，其中A、E和R1如本文所定义。本发明还涉及包含至少一种本发明噁唑烷酮化合物的组合物。本发明还提供了抑制分枝杆菌细胞生长的方法以及治疗结核分枝杆菌感染的方法，包括施用治疗有效量的本发明噁唑烷酮和/或其药学上可接受的盐，或包含这种化合物和/或盐的组合物。
• OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20190248753A1

  公开（公告）日：2019-08-15

  The present invention relates to oxazolidinone compounds of Formula (I): and pharmaceutically acceptable salts thereof, wherein A, E, and R 1 are as defined herein. The present invention also relates to compositions which comprise at least one oxazolidinone compound of the invention. The invention also provides methods for inhibiting growth of mycobacterial cells as well as a method of treating mycobacterial infections by Mycobacterium tuberculosis comprising administering a therapeutically effective amount of an oxazolidinone of the invention and/or a pharmaceutically acceptable salt thereof, or a composition comprising such compound and/or salt.
• [EN] OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS<br/>[FR] COMPOSÉS D'OXAZOLIDINONE ET PROCÉDÉS POUR LES UTILISER COMME AGENTS ANTIBACTÉRIENS
  申请人：MERCK SHARP & DOHME

  公开号：WO2017070024A1

  公开（公告）日：2017-04-27

  The present invention relates to oxazolidinone compounds of Formula (I): and pharmaceutically acceptable salts thereof, wherein A, E, and R1 are as defined herein. The present invention also relates to compositions which comprise at least one oxazolidinone compound of the invention. The invention also provides methods for inhibiting growth of mycobacterial cells as well as a method of treating mycobacterial infections by Mycobacterium tuberculosis comprising administering a therapeutically effective amount of an oxazolidinone of the invention and/or a pharmaceutically acceptable salt thereof, or a composition comprising such compound and/or salt.