(5S)-5-(Aminomethyl)-3-[1,4,5,6-tetrahydro-3-(5-isoxazolyl)benzo[6,7]cyclohepta[1,2-c]pyrazol-8-yl]-2-oxazolidinone | 794461-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: (5S)-5-(Aminomethyl)-3-[1,4,5,6-tetrahydro-3-(5-isoxazolyl)benzo[6,7]cyclohepta[1,2-c]pyrazol-8-yl]-2-oxazolidinone
• 英文别名: (5S)-5-(aminomethyl)-3-[5-(1,2-oxazol-5-yl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl]-1,3-oxazolidin-2-one
• CAS: 794461-71-5
• 化学式: C₁₉H₁₉N₅O₃
• 分子量: 365.392
• InChiKey: GZWWIOYEXMRCSJ-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (5S)-5-(Aminomethyl)-3-[1,4,5,6-tetrahydro-3-(5-isoxazolyl)benzo[6,7]cyclohepta[1,2-c]pyrazol-8-yl]-2-oxazolidinone 、 2,2-二氟乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2,2-difluoro-N-[[(5S)-3-[5-(1,2-oxazol-5-yl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaen-12-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
  参考文献：
  名称：

  Synthesis and SAR of novel conformationally-restricted oxazolidinones possessing Gram-positive and fastidious Gram-negative antibacterial activity. Part 1: Substituted pyrazoles

  摘要：

  A novel series of conformationally-restricted oxazolidinones was synthesized which possess a fused pyrazole ring substituted with various alkyl, aryl and heteroaryl substituents. A number of analogs exhibited potent activity against both Gram-positive and fastidious Gram-negative organisms.(c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.056
• 作为产物：
  描述：

  (S)-[3-(3-isoxazol-5-yl-1,4,5,6-tetrahydro-1,2-diaza-benzo[e]azulen-8-yl)-2-oxo-oxazolidin-5-ylmethyl]-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 (5S)-5-(Aminomethyl)-3-[1,4,5,6-tetrahydro-3-(5-isoxazolyl)benzo[6,7]cyclohepta[1,2-c]pyrazol-8-yl]-2-oxazolidinone
  参考文献：
  名称：

  Synthesis and SAR of novel conformationally-restricted oxazolidinones possessing Gram-positive and fastidious Gram-negative antibacterial activity. Part 1: Substituted pyrazoles

  摘要：

  A novel series of conformationally-restricted oxazolidinones was synthesized which possess a fused pyrazole ring substituted with various alkyl, aryl and heteroaryl substituents. A number of analogs exhibited potent activity against both Gram-positive and fastidious Gram-negative organisms.(c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.056

文献信息

• Synthesis and SAR of novel conformationally-restricted oxazolidinones possessing Gram-positive and fastidious Gram-negative antibacterial activity. Part 1: Substituted pyrazoles
  作者：Frederick E. Boyer、J.V.N. Vara Prasad、Allison L. Choy、Louis Chupak、Michael R. Dermyer、Qizhu Ding、Michael D. Huband、Wenhua Jiao、Takushi Kaneko、Vladimir Khlebnikov、Ji-Young Kim、Manjinder S. Lall、Samarendra N. Maiti、Karina Romero、Xiujuan Wu

  DOI：10.1016/j.bmcl.2007.05.056

  日期：2007.8

  A novel series of conformationally-restricted oxazolidinones was synthesized which possess a fused pyrazole ring substituted with various alkyl, aryl and heteroaryl substituents. A number of analogs exhibited potent activity against both Gram-positive and fastidious Gram-negative organisms.(c) 2007 Elsevier Ltd. All rights reserved.