4-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]butanamide | 1407151-47-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
• CAS: 1407151-47-6
• 化学式: C₂₁H₂₉N₅O₃
• 分子量: 399.493
• InChiKey: PVOBJLKCTFQMOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  90.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-(4-methoxy-phenyl)-2H-pyrazol-3-ylamine hydrochloride 在 N,N-二异丙基乙胺 、 sodium iodide 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 1.0h， 生成 4-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
  参考文献：
  名称：

  N-[5-(5-Fluoropyridin-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutyramide (SEN78702, WYE-308775): A Medicinal Chemistry Effort toward an α7 Nicotinic Acetylcholine Receptor Agonist Preclinical Candidate

  摘要：

  alpha 7 nicotinic acetylcholine receptors (alpha 7 nAChR) represent promising therapeutic candidates for the treatment of cognitive impairment, associated with Alzheimer's disease (AD) and schizophrenia. A medicinal chemistry effort around previously reported compound 1 (SEN15924, WAY 361789) led to the identification of 12 (SEN78702, WYE-308775) a potent and selective full agonist of the alpha 7 nAChR that demonstrated improved plasma stability, brain levels, and efficacy in behavioral cognition models.

  DOI：

  10.1021/jm3013568

文献信息

• <i>N</i>-[5-(5-Fluoropyridin-3-yl)-1<i>H</i>-pyrazol-3-yl]-4-piperidin-1-ylbutyramide (SEN78702, WYE-308775): A Medicinal Chemistry Effort toward an α7 Nicotinic Acetylcholine Receptor Agonist Preclinical Candidate
  作者：Riccardo Zanaletti、Laura Bettinetti、Cristiana Castaldo、Ilaria Ceccarelli、Giuseppe Cocconcelli、Thomas A. Comery、John Dunlop、Eva Genesio、Chiara Ghiron、Simon N. Haydar、Flora Jow、Laura Maccari、Iolanda Micco、Arianna Nencini、Carmela Pratelli、Carla Scali、Elisa Turlizzi、Michela Valacchi

  DOI：10.1021/jm3013568

  日期：2012.11.26

  alpha 7 nicotinic acetylcholine receptors (alpha 7 nAChR) represent promising therapeutic candidates for the treatment of cognitive impairment, associated with Alzheimer's disease (AD) and schizophrenia. A medicinal chemistry effort around previously reported compound 1 (SEN15924, WAY 361789) led to the identification of 12 (SEN78702, WYE-308775) a potent and selective full agonist of the alpha 7 nAChR that demonstrated improved plasma stability, brain levels, and efficacy in behavioral cognition models.