(6R,7R)-3-[(Z)-2-(3-Methoxy-isoxazol-5-yl)-vinyl]-8-oxo-7-{2-[2-(trityl-amino)-thiazol-4-yl]-2-[(Z)-trityloxyimino]-acetylamino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester | 220779-81-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (6R,7R)-3-[(Z)-2-(3-Methoxy-isoxazol-5-yl)-vinyl]-8-oxo-7-{2-[2-(trityl-amino)-thiazol-4-yl]-2-[(Z)-trityloxyimino]-acetylamino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester
• 英文别名: (4-methoxyphenyl)methyl (6R,7R)-3-[(Z)-2-(3-methoxy-1,2-oxazol-5-yl)ethenyl]-8-oxo-7-[[(2Z)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 220779-81-7
• 化学式: C₆₄H₅₂N₆O₈S₂
• 分子量: 1097.28
• InChiKey: JXSUHNNOODNRIC-YYHRLLDWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  80
• 可旋转键数：
  21
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  220
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  (6R,7R)-3-[(Z)-2-(3-Methoxy-isoxazol-5-yl)-vinyl]-8-oxo-7-{2-[2-(trityl-amino)-thiazol-4-yl]-2-[(Z)-trityloxyimino]-acetylamino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester 在 苯甲醚 、 三氟乙酸 、 甲酸 作用下， 生成 (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-3-[(Z)-2-(3-methoxy-isoxazol-5-yl)-vinyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  Structural Modifications and Biological Evaluation of 3-Isoxazolylvinylcephalosporins

  摘要：

  Structural modifications and biological evaluations of 3-isoxazolylvinylcephalosporins (I) were performed. The replacement of a hydrogen atom at the 7-aminothiazole group by a chlorine resulted in an improvement: of the activity against resistant Gram-positive bacterial strains including the methicillin-resistant Staphylococcus aureus (MRSA) and the ciprofloxacin-resistant Staphylococcus aureus (CRSA). The introduction of other heterocycles such as an isothiazole or a thiadiazole in place of the isoxazole moiety gave slightly decreased in vitro activities. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00415-4
• 作为产物：
  描述：

  三苯甲基头孢地尼侧链酸 在 吡啶 、 三苯基膦 、 sodium iodide 、 三氯氧磷 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 1.0h， 生成 (6R,7R)-3-[(Z)-2-(3-Methoxy-isoxazol-5-yl)-vinyl]-8-oxo-7-{2-[2-(trityl-amino)-thiazol-4-yl]-2-[(Z)-trityloxyimino]-acetylamino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester
  参考文献：
  名称：

  Structural Modifications and Biological Evaluation of 3-Isoxazolylvinylcephalosporins

  摘要：

  Structural modifications and biological evaluations of 3-isoxazolylvinylcephalosporins (I) were performed. The replacement of a hydrogen atom at the 7-aminothiazole group by a chlorine resulted in an improvement: of the activity against resistant Gram-positive bacterial strains including the methicillin-resistant Staphylococcus aureus (MRSA) and the ciprofloxacin-resistant Staphylococcus aureus (CRSA). The introduction of other heterocycles such as an isothiazole or a thiadiazole in place of the isoxazole moiety gave slightly decreased in vitro activities. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00415-4

文献信息

• Structural Modifications and Biological Evaluation of 3-Isoxazolylvinylcephalosporins
  作者：Ae Nim Pae、Jie Eun Lee、Bo Hyung Kim、Joo Hwan Cha、Hea Yeon Kim、Yong Seo Cho、Kyung Il Choi、Hun Yeong Koh、Eun Lee、Je Hak Kim

  DOI：10.1016/s0040-4020(00)00415-4

  日期：2000.7

  Structural modifications and biological evaluations of 3-isoxazolylvinylcephalosporins (I) were performed. The replacement of a hydrogen atom at the 7-aminothiazole group by a chlorine resulted in an improvement: of the activity against resistant Gram-positive bacterial strains including the methicillin-resistant Staphylococcus aureus (MRSA) and the ciprofloxacin-resistant Staphylococcus aureus (CRSA). The introduction of other heterocycles such as an isothiazole or a thiadiazole in place of the isoxazole moiety gave slightly decreased in vitro activities. (C) 2000 Elsevier Science Ltd. All rights reserved.