p-Nitrobenzyl(5R,6S)-6-[1-(R)-hydroxyethyl]-3-(2-p-nitrobenzyloxycarbonylaminoethylsulphinylmethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | 80391-62-4

• 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: p-Nitrobenzyl(5R,6S)-6-[1-(R)-hydroxyethyl]-3-(2-p-nitrobenzyloxycarbonylaminoethylsulphinylmethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• 英文别名: (4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfinylmethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• CAS: 80391-62-4
• 化学式: C₂₇H₂₈N₄O₁₁S
• 分子量: 616.606
• InChiKey: ZXXJJFGEZIXUCU-WNLUSCSJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  233
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  p-nitrobenzyl (5R,6S)-6-[1-(R)-hydroxyethyl]-3-(2-p-nitrobenzyloxycarbonylaminoethyl)thiomethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate 生成 p-Nitrobenzyl(5R,6S)-6-[1-(R)-hydroxyethyl]-3-(2-p-nitrobenzyloxycarbonylaminoethylsulphinylmethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  参考文献：
  名称：

  HIRAOKA, TETSUO;KOBAYASHI, TAKEO;ISHIDA, NOBORU;SUGAWARA, SHINICHI

  摘要：

  DOI：

文献信息

• 7-Oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives, their
  申请人：Sankyo Company, Limited

  公开号：US04377591A1

  公开（公告）日：1983-03-22

  7-Oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives of formula (I): ##STR1## (in which:) R.sup.1 represents a hydrogen atom or an optionally substituted alkyl group; X represents an oxy group, a thio group, a sulphinyl group or a sulphonyl group; A represents a bivalent for trivalent saturated aliphatic hydrocarbon group; p is 1 (when A is bivalent) or 2 (when A is trivalent); R.sup.2 represents an azido, nitro or cyano group or one of the groups of formula ##STR2## m and n are the same or different and each is 0 or 1; R represents an amidino group or a group of formula R.sup.4, --N(R.sup.4).sub.2 or --YR.sup.4, B represents a group of formula ##STR3## D represents a group of formula ##STR4## (provided that, where m and n are both 1, the groups represented by B and D must be different); R.sup.4 represents a hydrogen atom or an alkyl group and, where there are 2 or more groups represented by R.sup.4, they may be the same or different, and Y represents an oxygen atom or a sulphur atom; and R.sup.3 represents a carboxy group or a protected carboxy group) and pharmaceutically acceptable salts thereof are valuable antibiotics and may be prepared by a process which includes heating a corresponding phosphorus-ylide compound.

  公式（I）的7-氧代-1-氮杂双环[3.2.0]庚-2-烯-2-羧酸衍生物：##STR1##（其中：）R.sup.1代表氢原子或可选择替换的烷基；X代表氧基，硫基，亚磺酰基或磺酰基；A代表二价或三价饱和脂肪族碳氢基团；p为1（当A为二价）或2（当A为三价）；R.sup.2代表叠氮基，硝基或氰基或式子之一的基团##STR2##m和n相同或不同，且每个为0或1；R代表酰胺基团或式子R.sup.4，-N（R.sup.4）.sub.2或-YR.sup.4的基团，B代表式子之一的基团##STR3##D代表式子之一的基团##STR4##（前提是，当m和n均为1时，B和D所代表的基团必须不同）；R.sup.4代表氢原子或烷基，若有2个或更多的R.sup.4基团，则它们可以相同或不同，并且Y代表氧原子或硫原子；R.sup.3代表羧基或保护羧基）及其药学上可接受的盐是有价值的抗生素，并可通过包括加热相应的膦-叶立德化合物的方法制备。
• US4377591A
  申请人：——

  公开号：US4377591A

  公开（公告）日：1983-03-22