benzhydryl (6R,7Z)-4-methylidene-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5,5,8-trioxo-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | 287489-61-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzhydryl (6R,7Z)-4-methylidene-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5,5,8-trioxo-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 英文别名: benzhydryl (6R,7Z)-4-methylidene-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5,5,8-trioxo-7-(pyridin-2-ylmethylidene)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 287489-61-6
• 化学式: C₃₄H₃₀N₂O₇S
• 分子量: 610.687
• InChiKey: GLOBNRHRXLKOBQ-ULKYXHBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  benzhydryl (6R,7Z)-4-methylidene-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5,5,8-trioxo-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 在 三氟乙酸 作用下， 以 苯甲醚 为溶剂， 生成 (R)-3-((E)-2-Carboxy-vinyl)-4-methylene-5,5,8-trioxo-7-[1-pyridin-2-yl-meth-(Z)-ylidene]-5λ⁶-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 、 (6R,7Z)-4-methylidene-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5,5,8-trioxo-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  The synthesis and evaluation of 2-substituted-7-(alkylidene)cephalosporin sulfones as β-lactamase inhibitors

  摘要：

  A series of 2-substituted-7-(alkylidene)cephalosporin sulfones were prepared and evaluated as beta-lactamase inhibitors. Compound Ile showed excellent activity as an inhibitor of the class C beta-lactamase derived from Enterobacter cloacae, strain P99. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00094-9
• 作为产物：
  描述：

  (叔丁氧基羰基亚甲基)三苯基磷烷 在 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 20.5h， 生成 benzhydryl (6R,7Z)-4-methylidene-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5,5,8-trioxo-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  参考文献：
  名称：

  The synthesis and evaluation of 2-substituted-7-(alkylidene)cephalosporin sulfones as β-lactamase inhibitors

  摘要：

  A series of 2-substituted-7-(alkylidene)cephalosporin sulfones were prepared and evaluated as beta-lactamase inhibitors. Compound Ile showed excellent activity as an inhibitor of the class C beta-lactamase derived from Enterobacter cloacae, strain P99. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00094-9

文献信息

• The synthesis and evaluation of 2-substituted-7-(alkylidene)cephalosporin sulfones as β-lactamase inhibitors
  作者：John D Buynak、Venkata Ramana Doppalapudi、A.Srinivasa Rao、Sirishkumar D Nidamarthy、Greg Adam

  DOI：10.1016/s0960-894x(00)00094-9

  日期：2000.5

  A series of 2-substituted-7-(alkylidene)cephalosporin sulfones were prepared and evaluated as beta-lactamase inhibitors. Compound Ile showed excellent activity as an inhibitor of the class C beta-lactamase derived from Enterobacter cloacae, strain P99. (C) 2000 Elsevier Science Ltd. All rights reserved.