(1R,5S,6S)-6-[(1R)-1-hydroxyethyl]-2-[(3S,5S)-5-sulfamoylaminomethyl-1-t-butoxycarbonylpyrrolidine-3-yl]thio-1-methyl-1-carba-2-penem-3-carboxylic acid p-methoxybenzylester | 148017-52-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (1R,5S,6S)-6-[(1R)-1-hydroxyethyl]-2-[(3S,5S)-5-sulfamoylaminomethyl-1-t-butoxycarbonylpyrrolidine-3-yl]thio-1-methyl-1-carba-2-penem-3-carboxylic acid p-methoxybenzylester
• 英文别名: (4-methoxyphenyl)methyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• CAS: 148017-52-1
• 化学式: C₂₈H₄₀N₄O₉S₂
• 分子量: 640.779
• InChiKey: HHQNSGSHHXQICY-VNUCSJNSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  212
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1N-hydrochloric acid 、 2-sulfamoylaminomethyl-1-t-butoxycarbonyl-4-mercaptopyrrolidine 、 (1R,5S,6S)-6-[(1R)1-hydroxyethyl]-2-oxo-1-methyl-1-carbapenam-3-carboxylic acid p-methoxybenzylester 、 氯磷酸二苯酯 生成 (1R,5S,6S)-6-[(1R)-1-hydroxyethyl]-2-[(3S,5S)-5-sulfamoylaminomethyl-1-t-butoxycarbonylpyrrolidine-3-yl]thio-1-methyl-1-carba-2-penem-3-carboxylic acid p-methoxybenzylester
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• A pyrrolidylthiocarbapenem derivative
  申请人：SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD.

  公开号：EP0528678A1

  公开（公告）日：1993-02-24

  A pyrrolidylthiocarbapenem derivative represented by Formula I is provided: wherein R¹ is hydrogen or lower alkyl; R², R³ and R⁴ are hydrogen, lower alkyl which can be substituted or an amino protecting group independently, or R² and R³ together with a nitrogen atom to which R² and R³ are bonded form a saturated or unsaturated cyclic group, or R²and R⁴, or R³ and R⁴ together with two nitrogen atoms and one sulfur atom in the sufamide group form a saturated or unsaturated cyclic group; each cyclic group can further include at least one atom selected from the group consisting of oxygen, sulfur and nitrogen, and each cyclic group can be substituted; X¹ is hydrogen or a hydroxy protecting group; X² is hydrogen, a carboxy protecting group, an ammonio group, an alkali metal or an alkaline-earth metal; and Y² is hydrogen or an amino protecting group.

  提供了一种由式 I 代表的吡咯烷基硫代碳青霉烯类衍生物： 其中 R¹ 为氢或低级烷基；R²、R³ 和 R⁴ 分别为氢、可被取代的低级烷基或氨基保护基团，或 R² 和 R³ 与 R² 和 R³ 键合的一个氮原子一起形成饱和或不饱和环状基团，或 R² 和 R⁴，或 R³ 和 R⁴ 与 sufamide 基团中的两个氮原子和一个硫原子一起形成饱和或不饱和环状基团；每个环状基团可进一步包括至少一个选自氧、硫和氮组成的原子，且每个环状基团可被取代；X¹为氢或羟基保护基团；X²为氢、羧基保护基团、氨基、碱金属或碱土金属；Y²为氢或氨基保护基团。
• A pyrrolidylthiocarbapenem derivative with antibacterial activity
  申请人：SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD.

  公开号：EP0528678B1

  公开（公告）日：2001-05-23
• US5317016A
  申请人：——

  公开号：US5317016A

  公开（公告）日：1994-05-31