N,N,N-Tributylbutan-1-aminium 4-{1-amino-2-[(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)imino]-2-hydroxyethyl}phenolate | 76909-19-8

• 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: N,N,N-Tributylbutan-1-aminium 4-{1-amino-2-[(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)imino]-2-hydroxyethyl}phenolate
• 英文别名: 4-[1-amino-2-[[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxoethyl]phenolate;tetrabutylazanium
• CAS: 76909-19-8
• 化学式: C32H54N4O5S
• 分子量: 606.9
• InChiKey: DPGUNNZQGYLDBR-GJUCOGTPSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  42
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  161
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• 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。
• Antibacterial 6-(2-amino-2-(4-acyloxy-phenyl) acetamido) penicillanoyloxymethyl esters
  申请人：PFIZER INC.

  公开号：EP0074777A1

  公开（公告）日：1983-03-23

  6-(2-Amino-2-[4-acyloxyphenyl]acetamido)penicillanoyloxymethyl esters of beta-lactamase inhibitors containing a beta-lactam ring and a carboxy group, in which the 4-acyloxy group is a group of the formula R2-C(=O)-O- where R2 is an alkyl, alkoxy, carboxyalkyl, 3-carboxycyclopentyl, 4-carboxycyclohexyl, optionally-substituted phenyl or N-substituted amino group, are useful as antibacterial agents.

  6-(2-氨基-2-[4-乙酰氧基苯基]乙酰胺基)青霉烷酰氧基甲酯的β-内酰胺酶抑制剂含有一个β-内酰胺环和一个羧基，其中 4-乙酰氧基基团是式 R2-C(=O)-O- 的基团，其中 R2 是烷基、烷氧基、羧基烷基、3-羧基环戊基、4-羧基环己基、任选取代的苯基或 N-取代的氨基、烷氧基、羧基烷基、3-羧基环戊基、4-羧基环己基、任选取代的苯基或 N-取代的氨基，可用作抗菌剂。
• 1,1-Alkanediol dicarboxylate linked antibacterial agents
  申请人：PFIZER INC.

  公开号：EP0083484A1

  公开（公告）日：1983-07-13

  Useful antibacterial agents in which a penicillin and/or a beta-lactamase inhibitor are linked via 1,1-alkanediol dicarboxylates are of the formula where A is the residue of certain dicarboxyic acids, R3 is H or (C1-C3)alkyl, n is zero or 1 such that when n is zero R is P or B and R1 'is the residue of certain esters, H or a salt thereof; and when n is 1, one of R and R1 is P and the other is B, and P is where R2 is H or certain acyl groups, and B is the residue of a beta-lactamase inhibiting carboxylic acid; a method for their use, pharmaceutical compositions thereof and intermediates useful in their production.

  通过 1,1-烷二醇二羧酸盐连接青霉素和/或 β-内酰胺酶抑制剂的有用抗菌剂的结构式为 其中 A 是某些二羧酸的残基，R3 是 H 或 (C1-C3)烷基，n 是零或 1，当 n 为零时，R 是 P 或 B，R1 '是某些酯的残基、H 或其盐；当 n 为 1 时，R 和 R1 中的一个是 P，另一个是 B，且 P 是 其中 R2 是 H 或某些酰基，B 是抑制 beta-内酰胺酶的羧酸的残基；它们的使用方法、它们的药物组合物和生产它们的中间体。
• Bis-hydroxymethyl carbonate bridged antibacterial agents
  申请人：PFIZER INC.

  公开号：EP0082666A1

  公开（公告）日：1983-06-29

  Antibacterial agents in which a pencillin and a beta-lactamase inhibitor are linked by means of a bis- hydroxymethyl carbonate bridge are of the formula and pharmaceutically acceptable acid addition salts thereof, wherein R1 is hydrogen, hydroxy, certain acyloxy or certain alkoxycarbonyloxy groups, a method for their use, pharmaceutical compositions thereof, and intermediates useful in their production.

  通过双羟甲基碳酸酯桥连接青霉素和β-内酰胺酶抑制剂的抗菌剂及其药学上可接受的酸加成盐（其中 R1 为氢、羟基、某些酰氧基或某些烷氧基羰氧基）、其使用方法、其药物组合物以及用于生产它们的中间体。
• Process and intermediates for sultamicillin and analogs
  申请人：PFIZER INC.

  公开号：EP0112087A1

  公开（公告）日：1984-06-27

  6-Halo- and 6,6-dihalo-1,1-dioxopenicillanoyloxymethyl 6-[D-2-(2-alkoxycarbonyl-1-methylvinylamino- and 1-methyl-3-oxo-1-butenylamino)-2-phenylacetamido]-penicillanates and analogs; process fortheir conversion to sultamicillin and analogs; and process for their preparation.

  6-[D-2-(2-烷氧羰基-1-甲基乙烯基氨基-和 1-甲基-3-氧代-1-丁烯基氨基)-2-苯乙酰胺基]-6-卤代和 6,6-二卤-1,1-二氧代青霉烷酰氧基甲基青霉烷酸酯及其类似物；将其转化为舒他西林及其类似物的工艺；以及其制备工艺。