(3R,5S)-1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine | 866538-93-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (3R,5S)-1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine
• 英文别名: 1-(2-fluoro-4-nitrophenyl)-cis-3,5-dimethylpiperazine
• CAS: 866538-93-4
• 化学式: C₁₂H₁₆FN₃O₂
• 分子量: 253.276
• InChiKey: SGDDNVFDBUIQAT-DTORHVGOSA-N

物化性质

• 沸点：
  394.9±42.0 °C(Predicted)
• 密度：
  1.184

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3R,5S)-1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine 在 palladium on activated charcoal TEA 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、379.21 kPa 条件下， 生成 (2S,6R)-4-(4-Amino-2-fluoro-phenyl)-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and SAR of novel oxazolidinones: Discovery of ranbezolid

  摘要：

  Novel oxazolidinones were synthesized containing a number of substituted five-membered heterocycles attached to the 'piperazinyl-phenyl-oxazolidinone' core of eperezolid. Further, the piperazine ring of the core was replaced by other diamino-heterocycles. These modifications led to several compounds with potent activity against a spectrum of resistant and susceptible Gram-positive organisms, along with the identification of ranbezolid (RBx 7644) as a clinical candidate. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.063
• 作为产物：
  描述：

  3,4-二氟硝基苯 、 2,6-dimethylpiperazine 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 (3R,5S)-1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine
  参考文献：
  名称：

  Synthesis and SAR of novel oxazolidinones: Discovery of ranbezolid

  摘要：

  Novel oxazolidinones were synthesized containing a number of substituted five-membered heterocycles attached to the 'piperazinyl-phenyl-oxazolidinone' core of eperezolid. Further, the piperazine ring of the core was replaced by other diamino-heterocycles. These modifications led to several compounds with potent activity against a spectrum of resistant and susceptible Gram-positive organisms, along with the identification of ranbezolid (RBx 7644) as a clinical candidate. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.063

文献信息

• Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases
  申请人：Edwards Paul John

  公开号：US20090105242A1

  公开（公告）日：2009-04-23

  Novel triazolopyridine compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, ECM degradation, joint degradation and/or inflammation, and others.

  本发明公开了一种具有以下式子表示的新型三唑基吡啶化合物：这些化合物可以制备为药物组合物，并可用于预防和治疗哺乳动物，包括人类的各种疾病，例如ECM降解，关节降解和/或炎症等。
• Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases
  申请人：Galapagos NV

  公开号：US07977352B2

  公开（公告）日：2011-07-12

  Novel triazolopyridine compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, ECM degradation, joint degradation and/or inflammation, and others.

  揭示了一种具有以下公式表示的新型三唑并吡啶化合物：这些化合物可以制备为药物组成物，并可用于预防和治疗哺乳动物（包括人类）的各种疾病，包括但不限于ECM降解、关节降解和/或炎症等。
• JP6378918
  申请人：——

  公开号：——

  公开（公告）日：——
• TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES
  申请人：Galapagos N.V.

  公开号：EP2086540A1

  公开（公告）日：2009-08-12
• US7977352B2
  申请人：——

  公开号：US7977352B2

  公开（公告）日：2011-07-12