4-Nitrobenzyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(2S,4S)-1-(4-nitrobenzyloxycarbonyl)-2-{2-(ureidomethyl)thiazol-4-yl}pyrrolidin-4-yl]thio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | 117334-60-8

• 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]-4-methyl-7-oxo-3-[(2S,4S)-1-(4-nitrobenzyloxycarbonyl)-2-{2-(ureidomethyl)thiazol-4-yl}pyrrolidin-4-yl]thio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• 英文别名: (4-nitrophenyl)methyl (4R,5S,6S)-3-[(3S,5S)-5-[2-[(carbamoylamino)methyl]-1,3-thiazol-4-yl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• CAS: 117334-60-8
• 化学式: C₃₄H₃₅N₇O₁₁S₂
• 分子量: 781.824
• InChiKey: FYRZTHLBVHIBMK-VLVZVLKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  54
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  310
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  (3S,4R)-3-[(1R)-1-hydroxyethyl]-4-[(1R)-1-methyl-3-diazo-3-(p-nitrobenzyloxycarbonyl)-2-oxopropyl]azetidin-2-one 在 rhodium(II) acetate dimer 作用下， 生成 4-Nitrobenzyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(2S,4S)-1-(4-nitrobenzyloxycarbonyl)-2-{2-(ureidomethyl)thiazol-4-yl}pyrrolidin-4-yl]thio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  参考文献：
  名称：

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

  摘要：

  3-吡咯烷硫基-1-氮杂双环[320]庚-2-烯-2-羧酸抗微生物化合物已经制备好。

  公开号：

  US04921852A1

文献信息

• 3-Pyrrolidinylthio-1-azabicyclo [3.2.0] hept-2-ene-2-carboxylic acid compounds
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0272455A1

  公开（公告）日：1988-06-29

  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 heterocyclic group, which may have suitable substituent(s), and R5 is hydrogen or imino-protective group, and pharmaceutically acceptable salts thereof, processes for their preparation and pharmaceutical compositions comprising them as an active ingredient. The invention further comprises intermediates of the formula and process for the preparation thereof.

  式中的化合物 其中 R1 为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 是杂环基团，可带有合适的取代基，以及 R5 是氢或亚氨基保护基团、 及其药学上可接受的盐、制备工艺和含有它们作为活性成分的药物组合物。本发明还包括式 及其制备工艺。
• Glycyrrhetic acid derivatives and use thereof
  申请人：SANWA KAGAKU KENKYUSHO CO., LTD.

  公开号：EP0272478A1

  公开（公告）日：1988-06-29

  A glycyrrhetic acid derivative of the formula wherein X and Y are hydrogen atom. respectively or X is oxygen atom together with Y, A₁ is hydrogen atom, methylene or carbonyl radical, A₂ is hydrogen atom, cyano, carbamoyl, carboxy radical or alkoxy­carbonyl group, m and n are an integer, respectively, R₁ is a radical of in which R₂ is an alkyl, alkenyl group, phenyl radical or a substituted phenyl radical, A₃ is S, O or NH, and ℓ is an integer, a process for the preparation of the derivatives, and use of the derivative as a pharmaceutical agent.

  一种式中 X 和 Y 分别为氢原子或 X 与 Y 同为氧原子的甘草酸衍生物，A₁ 为氢原子、亚甲基或羰基，A₂ 为氢原子、氰基、氨基甲酰基、羧基或烷氧基羰基，m 和 n 分别为整数，R₁ 为其中 R₂ 为烷基、烯基、苯基或取代苯基的基团，A₃ 为 S、O 或 NH，ℓ 为整数的甘草酸衍生物，该衍生物的制备方法，以及该衍生物作为药剂的用途。
• 3-pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  申请人：Fujisawa Pharmaceutical Company, Ltd.

  公开号：US04921852A1

  公开（公告）日：1990-05-01

  3-Pyrrolidinylthio-1-azabicyclo [320] hept-2-ene-2-carboxylic acid anti-microbiotic compounds are prepared.

  3-吡咯烷硫基-1-氮杂双环[320]庚-2-烯-2-羧酸抗微生物化合物已经制备好。