1-(3-Methyl-4-nitrobenzoyl)piperazine | 926242-61-7

• 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: 1-(3-Methyl-4-nitrobenzoyl)piperazine
• 英文别名: (3-methyl-4-nitrophenyl)-piperazin-1-ylmethanone
• CAS: 926242-61-7
• 化学式: C₁₂H₁₅N₃O₃
• mdl: MFCD08443208
• 分子量: 249.269
• InChiKey: INHPIBYZOBPFRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 1-(3-Methyl-4-nitrobenzoyl)piperazine 、 N,N-二甲基甲酰胺二甲基缩醛 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Novel and Potent 5-Piperazinyl Methyl-N₁-aryl Sulfonyl Indole Derivatives as 5-HT₆ Receptor Ligands

  摘要：

  The exclusive distribution of 5-HT6 receptors in the brain regions associated with learing and memory makes it an ideal target for cognitive disorders. A novel series of 5-piperazinyl methyl-N-1-aryl sulfonyl indoles were designed and synthesized as 5-HT6R ligands. Most of the synthesized compounds are potent when tested by in vitro radiogland binding assay. The lead compound from the series does not have the CYP liabilities and is active in an animal model of cognition.

  DOI：

  10.1021/ml100101u
• 作为产物：
  描述：

  哌嗪 、 3-甲基-4-硝基苯甲酸 在 氯化亚砜 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 1-(3-Methyl-4-nitrobenzoyl)piperazine
  参考文献：
  名称：

  Novel and Potent 5-Piperazinyl Methyl-N₁-aryl Sulfonyl Indole Derivatives as 5-HT₆ Receptor Ligands

  摘要：

  The exclusive distribution of 5-HT6 receptors in the brain regions associated with learing and memory makes it an ideal target for cognitive disorders. A novel series of 5-piperazinyl methyl-N-1-aryl sulfonyl indoles were designed and synthesized as 5-HT6R ligands. Most of the synthesized compounds are potent when tested by in vitro radiogland binding assay. The lead compound from the series does not have the CYP liabilities and is active in an animal model of cognition.

  DOI：

  10.1021/ml100101u

文献信息

• COMPOUNDS AND THERAPEUTIC USES THEREOF
  申请人：Kumar Dange Vijay

  公开号：US20120122840A1

  公开（公告）日：2012-05-17

  The invention relates to compounds, pharmaceutical compositions, and uses thereof, including therapeutic uses thereof, such as methods useful for treating cancer.

  本发明涉及化合物、药物组合物及其用途，包括治疗用途，例如用于治疗癌症的有用方法。
• [EN] COMPOUNDS AND THERAPEUTIC USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：MYRIAD PHARMACEUTICALS INC

  公开号：WO2010111406A2

  公开（公告）日：2010-09-30

  The invention relates to compounds of formulae I or II, pharmaceutical compositions, and uses thereof, including therapeutic uses thereof, such as methods useful for treating cancer.
• Novel and Potent 5-Piperazinyl Methyl-<i>N</i>₁-aryl Sulfonyl Indole Derivatives as 5-HT₆ Receptor Ligands
  作者：Ramakrishna V. S. Nirogi、Prabhakar Kothmirkar、Ramasastri Kambhampati、Jagadish Babu Konda、Sobhanadri Arepalli、Narasimhareddy G. Pamuleti、Amol D. Deshpande、Trinathreddy Bandyala、Anil K. Shinde、P. K. Dubey

  DOI：10.1021/ml100101u

  日期：2010.10.14

  The exclusive distribution of 5-HT6 receptors in the brain regions associated with learing and memory makes it an ideal target for cognitive disorders. A novel series of 5-piperazinyl methyl-N-1-aryl sulfonyl indoles were designed and synthesized as 5-HT6R ligands. Most of the synthesized compounds are potent when tested by in vitro radiogland binding assay. The lead compound from the series does not have the CYP liabilities and is active in an animal model of cognition.