CL 191,638 | 161855-73-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: CL 191,638
• 英文别名: (4R,5S,6S)-3-[(2R,3R)-2-[[[(2S)-2-aminopropanoyl]amino]methyl]oxolan-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• CAS: 161855-73-8
• 化学式: C₁₈H₂₇N₃O₆S
• 分子量: 413.495
• InChiKey: SAESDGPERCNHBK-DHPCRHGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  CL 191,638 、 alkaline earth salt of/the/ methylsulfuric acid 在 pH 8.5 phosphate buffer 作用下， 以 1,4-二氧六环 为溶剂， 生成 (4R,5S,6S)-3-[(2R,3R)-2-[[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]methyl]oxolan-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  参考文献：
  名称：

  Synthesis and structure-activity relationships of novel THF 1β-methylcarbapenems II

  摘要：

  Two series of active aminomethyl-THF 1 beta-methylcarbapenem derivatives were synthesized. In general, they were all slightly less active than their parent compounds and failed to demonstrate enhanced activity against P. aeruginosa. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10143-3
• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以 1,4-二氧六环 为溶剂， 以65%的产率得到CL 191,638
  参考文献：
  名称：

  Peptidic prodrugs of novel aminomethyl-THF 1β-methylcarbapenems

  摘要：

  Peptidic prodrugs of the five most active aminomethyl-THF 1 beta-methylcarbapenems were synthesized. Of these, only L-amino acid derivatives from la demonstrated an improved oral activity. These results indicate that the L-amino acid derivatives from la are orally absorbed most likely through the dipeptide and tripeptide transport mechanism. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00281-3

文献信息

• Peptidic prodrugs of novel aminomethyl-THF 1β-methylcarbapenems
  作者：Yang-I Lin、Panayota Bitha、Subas M. Sakya、Zhong Li、Stanley A. Lang、Youjun Yang、Niraja Bhachech、William J. Weiss、Peter J. Petersen、Nilda V. Jacobus、Karen Bush、Raymond T. Testa

  DOI：10.1016/s0960-894x(97)00281-3

  日期：1997.7

  Peptidic prodrugs of the five most active aminomethyl-THF 1 beta-methylcarbapenems were synthesized. Of these, only L-amino acid derivatives from la demonstrated an improved oral activity. These results indicate that the L-amino acid derivatives from la are orally absorbed most likely through the dipeptide and tripeptide transport mechanism. (C) 1997 Elsevier Science Ltd.
• Synthesis and structure-activity relationships of novel THF 1β-methylcarbapenems II
  作者：Yang-I Lin、Panayota Bitha、Subas M. Sakya、Stanley A. Lang、Youjun Yang、William J. Weiss、Peter J. Petersen、Karen Bush、Raymond T. Testa

  DOI：10.1016/s0960-894x(97)10143-3

  日期：1997.12

  Two series of active aminomethyl-THF 1 beta-methylcarbapenem derivatives were synthesized. In general, they were all slightly less active than their parent compounds and failed to demonstrate enhanced activity against P. aeruginosa. (C) 1997 Elsevier Science Ltd.