(2S,4S)-4-Mercapto-2-(2-sulfamoyl-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid 4-nitro-benzyl ester | 212608-04-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,4S)-4-Mercapto-2-(2-sulfamoyl-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid 4-nitro-benzyl ester
• CAS: 212608-04-3
• 化学式: C₁₅H₂₀N₄O₇S₂
• 分子量: 432.478
• InChiKey: HEMMTTDNQUPQGT-STQMWFEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  161.94
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (2S,4S)-4-Mercapto-2-(2-sulfamoyl-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid 4-nitro-benzyl ester 在 palladium on activated charcoal 氢气 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 生成 IH 201
  参考文献：
  名称：

  Synthesis and biological properties of new 1β-methylcarbapenems

  摘要：

  The synthesis and biological activity of the novel series of 1 beta-methylcarbapenems, 1 and 2 were described. Most compounds displayed high potent antibacterial activity. The best compound in this series, 2a (IH201; R-2=NH2) showed an excellent and a broad spectrum as well as high renal DHP-I stability. It also possessed good in vivo efficacy and high safety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00270-4
• 作为产物：
  描述：

  (2S,4S)-4-Acetylsulfanyl-2-(2-sulfamoyl-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid 4-nitro-benzyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以80%的产率得到(2S,4S)-4-Mercapto-2-(2-sulfamoyl-ethylcarbamoyl)-pyrrolidine-1-carboxylic acid 4-nitro-benzyl ester
  参考文献：
  名称：

  Synthesis and biological properties of new 1β-methylcarbapenems

  摘要：

  The synthesis and biological activity of the novel series of 1 beta-methylcarbapenems, 1 and 2 were described. Most compounds displayed high potent antibacterial activity. The best compound in this series, 2a (IH201; R-2=NH2) showed an excellent and a broad spectrum as well as high renal DHP-I stability. It also possessed good in vivo efficacy and high safety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00270-4