6'-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)penicillanoyloxymethyl penicillanate 1,1-dioxide | 84519-06-2

• 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: 6'-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)penicillanoyloxymethyl penicillanate 1,1-dioxide
• 英文别名: 6'-(2,2-dimethyl-4-phenyl-5-imidazolidinon-1-yl)-penicillanoyloxymethyl penicillanate 1,1-dioxide；[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate；[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• CAS: 84519-06-2
• 化学式: C₂₈H₃₄N₄O₉S₂
• 分子量: 634.731
• InChiKey: MFNYSLULMRKMSQ-ZXRLEWKXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  193
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  6'-(alpha-aminophenylacetamido)penicillanoyloxymethyl penicillanate 1,1-dioxide 、 碘甲基舒巴坦 生成 6'-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)penicillanoyloxymethyl penicillanate 1,1-dioxide
  参考文献：
  名称：

  CRAWFORD, T. C.

  摘要：

  DOI：

文献信息

• Process for the preparation of penicillanic acid esters
  申请人：Pfizer Inc.

  公开号：US04381263A1

  公开（公告）日：1983-04-26

  A process for the preparation of chloromethyl esters of penicillanic acids, using iodochloromethane or bromochloromethane and a tetraalkylammonium salt of the penicillanic acid, and their use in processes for the synthesis of penicillanic acid esters, using a halomethyl ester and the tetraalkylammonium salt of the penicillanic acid, which readily hydrolyze in vivo to antibacterial penicillins and the beta-lactamase inhibitor penicillanic acid sulfone.

  一种制备青霉素酸氯甲酯的方法，使用碘氯甲烷或溴氯甲烷和青霉素酸四烷基铵盐，以及它们在合成青霉素酸酯的过程中的应用，使用卤代甲酯和青霉素酸四烷基铵盐，这些酯在体内容易水解成抗菌青霉素和β-内酰胺酶抑制剂青霉素酸磺酮。
• Bis-esters of methanediol with acetonides of ampicillin or amoxicillin and penicillanic acid 1,1-dioxide
  申请人：PFIZER INC.

  公开号：EP0061281A1

  公开（公告）日：1982-09-29

  Bis-esters of methanediol wherein one hydroxy group of the methanediol is esterified with the carboxy group of hetacillin (or of the p-hydroxy analog of hetacillin) and the other hydroxy group of the methanediol is esterified with penicillanic acid 1,1-dioxide. These orally effective compounds have a particularly broad spectrum of antibacterial activity in mammals, and have an unusually long serum half-life.

  甲二醇双酯，其中甲二醇的一个羟基与赫他西林（或赫他西林的对羟基类似物）的羧基酯化，而甲二醇的另一个羟基与青霉烷酸 1,1-二氧化物酯化。 这些口服有效的化合物在哺乳动物体内具有特别广泛的抗菌活性，而且血清半衰期特别长。
• Improved process for the preparation of penicillanic acid esters
  申请人：PFIZER INC.

  公开号：EP0061284A1

  公开（公告）日：1982-09-29

  A process for the preparation of chloromethyl esters of penicillanic acids, using iodochloromethane or bromochloromethane and a tetraalkylammonium salt of the penicillanic acid, and their use in processes for the synthesis of penicillanic acid esters, using a halomethyl ester and the tetraalkylammonium salt of the penicillanic acid, which readily hydrolyze in vivo to antibacterial penicillins and the beta-lactamase inhibitor penicillanic acid sulfone.

  一种利用碘氯甲烷或溴氯甲烷和青霉烷酸的四烷基铵盐制备青霉烷酸氯甲酯的工艺，及其在利用卤代甲酯和青霉烷酸的四烷基铵盐合成青霉烷酸酯工艺中的应用，这种青霉烷酸酯在体内容易水解为抗菌青霉烷酸酯和β-内酰胺酶抑制剂青霉烷酸砜。
• US4321196A
  申请人：——

  公开号：US4321196A

  公开（公告）日：1982-03-23
• US4378459A
  申请人：——

  公开号：US4378459A

  公开（公告）日：1983-03-29