5-phenyl-2-[2-(1-piperidinylcarbonyl)phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-one | 1261298-40-1

• 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: 5-phenyl-2-[2-(1-piperidinylcarbonyl)phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-one
• 英文别名: 5-phenyl-2-(2-(piperidine-1-carbonyl)phenyl)-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-one；5-phenyl-2-[2-(piperidine-1-carbonyl)phenyl]-3H-pyrrolo[1,2-c]imidazol-1-one
• CAS: 1261298-40-1
• 化学式: C₂₄H₂₃N₃O₂
• 分子量: 385.466
• InChiKey: KHHBKFYFMHFBOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-苯基-1H-吡咯-2-羧酸 在 氯化亚砜 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.3h， 生成 5-phenyl-2-[2-(1-piperidinylcarbonyl)phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-one
  参考文献：
  名称：

  Synthesis and pharmacological characterization of 5-phenyl-2-[2-(1-piperidinylcarbonyl)phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones: A new class of Neuropeptide S antagonists

  摘要：

  A new class of selective NPS antagonist was developed starting from a commercially available product identified by screening activities. Experimental NMR observations and computational experiments allowed the discovery of a new class of derivatives. 5-Phenyl-2-[2-(1-piperidinylcarbonyl) phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c] imidazol-1-one represents a new lead compound in the NPS antagonist field. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.067

文献信息

• Synthesis and pharmacological characterization of 5-phenyl-2-[2-(1-piperidinylcarbonyl)phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones: A new class of Neuropeptide S antagonists
  作者：Fabrizio Micheli、Romano Di Fabio、Angelo Giacometti、Adelheid Roth、Elisa Moro、Giancarlo Merlo、Alfredo Paio、Emilio Merlo-Pich、Silvia Tomelleri、Federica Tonelli、Paola Zarantonello、Laura Zonzini、Anna Maria Capelli

  DOI：10.1016/j.bmcl.2010.10.067

  日期：2010.12

  A new class of selective NPS antagonist was developed starting from a commercially available product identified by screening activities. Experimental NMR observations and computational experiments allowed the discovery of a new class of derivatives. 5-Phenyl-2-[2-(1-piperidinylcarbonyl) phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c] imidazol-1-one represents a new lead compound in the NPS antagonist field. (C) 2010 Elsevier Ltd. All rights reserved.