(5R,6S)-3-[4-(N,N-Dimethyl-carbamimidoyl)-dibenzofuran-2-yl]-7-oxo-6-((R)-1-trimethylsilanyloxy-ethyl)-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester | 253268-65-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (5R,6S)-3-[4-(N,N-Dimethyl-carbamimidoyl)-dibenzofuran-2-yl]-7-oxo-6-((R)-1-trimethylsilanyloxy-ethyl)-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester
• CAS: 253268-65-4
• 化学式: C₃₄H₃₆N₄O₇Si
• 分子量: 640.768
• InChiKey: SKEDJUFACWQEMT-NIRRXFOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.31
• 重原子数：
  46.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  139.21
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (5R,6S)-3-[4-(N,N-Dimethyl-carbamimidoyl)-dibenzofuran-2-yl]-7-oxo-6-((R)-1-trimethylsilanyloxy-ethyl)-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 (5R,6S)-3-[4-(N,N-Dimethyl-carbamimidoyl)-dibenzofuran-2-yl]-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester; hydrochloride
  参考文献：
  名称：

  The synthesis and anti-MRSA activity of amidinium-substituted 2-dibenzofuranylcarbapenems

  摘要：

  A series of amidinium-substituted 2-dibenzofuranylcarbapenems with potent activity against MRSA has been synthesized via a Stille cross-coupling reaction. These new carbapenems show reduced serum protein binding and improved in vivo efficacy as a consequence of the positively charged amidinium substituent. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00526-0
• 作为产物：
  描述：

  (2R,5R,6S)-6-[(R)-1-羟基乙基]-3,7-二氧代-1-氮杂双环[3.2.0]庚烷-2-羧酸对硝基苄基酯 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 四乙基氯化铵 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (5R,6S)-3-[4-(N,N-Dimethyl-carbamimidoyl)-dibenzofuran-2-yl]-7-oxo-6-((R)-1-trimethylsilanyloxy-ethyl)-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester
  参考文献：
  名称：

  The synthesis and anti-MRSA activity of amidinium-substituted 2-dibenzofuranylcarbapenems

  摘要：

  A series of amidinium-substituted 2-dibenzofuranylcarbapenems with potent activity against MRSA has been synthesized via a Stille cross-coupling reaction. These new carbapenems show reduced serum protein binding and improved in vivo efficacy as a consequence of the positively charged amidinium substituent. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00526-0