4-nitrophenyl(4R,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate | 328557-42-2

• 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: 4-nitrophenyl(4R,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
• 英文别名: (4-nitrophenyl) (4R,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
• CAS: 328557-42-2
• 化学式: C₁₇H₁₂F₂N₂O₆
• 分子量: 378.289
• InChiKey: DARRWSODOOEPJH-VFZGTOFNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-propylamine 、 4-nitrophenyl(4R,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate 以 四氢呋喃 为溶剂， 以80%的产率得到(4R,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxazolidine-3-carboxylic acid {3-[4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide
  参考文献：
  名称：

  Determination of the relative and absolute stereochemistry of a potent and α1A-selective adrenoceptor antagonist

  摘要：

  The binding affinities and selectivities of antagonists 1-4 for the alpha (1A)-adrenoceptor are dependent on the stereochemical orientation of the groups at the C-4 and C-5 positions of the oxazolidinone ring. The unambiguous assignment of the relative and absolute configurations of the diastereomers of SNAP 7915 (1) is reported. (C) 2000 Elsevier Science Ltd. AII rights reserved.

  DOI：

  10.1016/s0960-894x(00)00524-2
• 作为产物：
  描述：

  (2S)-2-{[tert-butyl(dimethyl)silyl]oxy}-1-(3,4-difluorophenyl)-1-propanone 在 lithium aluminium tetrahydride 、 盐酸羟胺 、 sodium acetate 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 氯仿 为溶剂， 生成 4-nitrophenyl(4R,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
  参考文献：
  名称：

  Determination of the relative and absolute stereochemistry of a potent and α1A-selective adrenoceptor antagonist

  摘要：

  The binding affinities and selectivities of antagonists 1-4 for the alpha (1A)-adrenoceptor are dependent on the stereochemical orientation of the groups at the C-4 and C-5 positions of the oxazolidinone ring. The unambiguous assignment of the relative and absolute configurations of the diastereomers of SNAP 7915 (1) is reported. (C) 2000 Elsevier Science Ltd. AII rights reserved.

  DOI：

  10.1016/s0960-894x(00)00524-2

文献信息

• Substituted anilinic piperidines as MCH selective antagonists
  申请人：Synaptic Pharmaceutical Corporation

  公开号：US06727264B1

  公开（公告）日：2004-04-27

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therepeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier.

  这项发明涉及对黑素集中激素-1（MCH1）受体具有选择性的拮抗剂化合物。发明提供了一种药物组合物，包括治疗有效量的本发明化合物和药用可接受载体。本发明还提供了一种通过结合本发明的治疗有效量的化合物和药用可接受载体来制造的药物组合物。本发明进一步提供了一种制造药物组合物的方法，包括结合治疗有效量的本发明化合物和药用可接受载体。