N-((5S)-3-(4-(2S-benzyloxycarbonyl-1-trityl-2,5-dihydropyrrol-4-yl)phenyl)-2-oxooxazolidin-5-ylmethyl)acetamide | 220992-82-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: N-((5S)-3-(4-(2S-benzyloxycarbonyl-1-trityl-2,5-dihydropyrrol-4-yl)phenyl)-2-oxooxazolidin-5-ylmethyl)acetamide
• 英文别名: benzyl (2S)-4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-trityl-2,5-dihydropyrrole-2-carboxylate
• CAS: 220992-82-5
• 化学式: C₄₃H₃₉N₃O₅
• 分子量: 677.8
• InChiKey: WJWQHZXKYIOZNC-ZAQUEYBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  51
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Antibiotic oxazolidinone derivatives
  申请人：Syngenta Limited

  公开号：US20030216374A1

  公开（公告）日：2003-11-20

  The invention concerns a compound of formula (I): 1 wherein, for example: T is of formula (IB) or (IC): 2 R 1 is of the formula —NHC(═O)R b wherein R b is (1-4C)alkyl; R 2 and R 3 are hydrogen or fluoro; A—B— is C═CH— or CH—CH 2 —; wherein when T is of formula (IB); R 6 is, for example, (1-4C)alkyl; R 5 is hydrogen, R 10 CO—, R 10 SO 2 — or R 10 CS— wherein R 10 is, for example, optionally substituted phenyl, or (1-10C)alkyl; or when T is of formula (IB) or (IC); R 5 and R 6 are linked to give a 5- or 6-membered ring which is fused to the ring shown in (IB) or (IC) so as to give an optionally substituted bicyclic ring; and pharmaceutically-acceptable salts thereof, processes for their preparation; pharmaceutical compositions containing them and their use as antibacterial agents.

  本发明涉及式(I)的化合物：1其中，例如：T为式(IB)或式(IC)：2R1为式—NHC(═O)Rb的形式，其中Rb为(1-4C)烷基；R2和R3为氢或氟；A—B—为C═CH—或CH—CH2—；当T为式(IB)时，R6为例如(1-4C)烷基；R5为氢、R10CO—、R10SO2—或R10CS—，其中R10为例如可选取代的苯基或(1-10C)烷基；或当T为式(IB)或式(IC)时，R5和R6连接形成一个5-或6-成员环，与(IB)或(IC)中所示的环融合，从而形成一个可选取代的双环；以及其药学上可接受的盐，制备它们的方法；含有它们的制药组合物和它们作为抗菌剂的用途。
• US6605630B1
  申请人：——

  公开号：US6605630B1

  公开（公告）日：2003-08-12