4-nitrobenzyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2S,4S)-2-(1-methyl-1-pyrrolidinio)methyl-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-4-yl]thio-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate iodide | 127190-71-0

• 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: 4-nitrobenzyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2S,4S)-2-(1-methyl-1-pyrrolidinio)methyl-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-4-yl]thio-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate iodide
• 英文别名: (4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5S)-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;iodide
• CAS: 127190-71-0
• 化学式: C₃₅H₄₂N₅O₁₀S*I
• 分子量: 851.716
• InChiKey: YCKMZPOBNWPPTP-XOQQOLTMSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  52
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  213
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-nitrobenzyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2S,4S)-1-(4-nitrobenzyloxycarbonyl)-2-(pyrrolidin-1-yl)methylpyrrolidin-4-yl]thio-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate 、 碘甲烷 以 丙酮 为溶剂， 以to give 4-nitrobenzyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2S,4S)-2-(1-methyl-1-pyrrolidinio)methyl-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-4-yl]thio-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate iodide (0.35 g)的产率得到4-nitrobenzyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2S,4S)-2-(1-methyl-1-pyrrolidinio)methyl-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-4-yl]thio-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate iodide
  参考文献：
  名称：

  3-pyrrolidinylthio-1-azabicyclo[3.2.0]-hept-2-ene-2-carboxylic acid

  摘要：

  已经制备出具有抗微生物活性的3-吡咯烷硫酸-1-氮杂双环[3.2.0]庚-2-烯-2-羧酸化合物。

  公开号：

  US04925838A1

文献信息

• 3-pyrrolidinylthio-1-azabicyclo[3.2.0]-hept-2-ene-2-carboxylic acid
  申请人：Fujisawa Pharmaceutical Company, Ltd.

  公开号：US04925838A1

  公开（公告）日：1990-05-15

  3-Pyrrolidinythio-1-azabicyclo [3.2.0]hept-2-ene-2-carboxylic acid compounds which have antimicrobial activity have been prepared.

  已制备具有抗微生物活性的3-吡咯啉硫-1-氮杂双环[3.2.0]庚-2-烯-2-羧酸化合物。
• 3-Pyrrolidinylthio-1-azabicyclo (3.2.0)hept-2-ene-2-carboxylic acid compounds
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0333175A1

  公开（公告）日：1989-09-20

  A compound of the formula : in which R1 is carboxy or protected carboxy, R2 is hydroxy(lower)alkyl or protected hydroxy(lower)alkyl, R3 is hydrogen or lower alkyl, R4 is aliphatic heterocyclic group which may be substituted by suitable substituent(s), R5 is hydrogen, lower alkyl or imino-protective group, and A is lower alkylene, or pharmaceutically acceptable salts thereof, processes for their preparation and pharmaceutical compositions comprising them as an active ingredient in admixture with a pharmaceutically acceptable carrier or excipient.

  式中的化合物： 其中 R1 是羧基或受保护的羧基、 R2 是羟基（低级）烷基或受保护的羟基（低级）烷基 R3 是氢或低级烷基 R4 是脂肪杂环基团，可被合适的取代基取代、 R5 是氢、低级烷基或亚氨基保护基团，以及 A 是低级亚烷基、 或它们的药学上可接受的盐、它们的制备工艺以及包含它们作为活性成分与药学上可接受的载体或赋形剂混合的药物组合物。
• 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid
  申请人：Fujisawa Pharmaceutical Company, Ltd.

  公开号：US05202437A1

  公开（公告）日：1993-04-13

  The present invention concerns intermediates in the preparation of novel 3-pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and pharmaceutically acceptable salts thereof. The novel 3-pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and pharmaceutically acceptable salts thereof show antimicrobial activity.

  本发明涉及在制备新型3-吡咯烷基硫基-1-氮杂双环[3.2.0]庚-2-烯-2-羧酸化合物及其药学上可接受的盐的中间体。这种新型3-吡咯烷基硫基-1-氮杂双环[3.2.0]庚-2-烯-2-羧酸化合物及其药学上可接受的盐具有抗微生物活性。