N-(4-chlorophenyl)butyrimidamide | 1261181-03-6

• 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: N-(4-chlorophenyl)butyrimidamide
• 英文别名: N'-(4-chlorophenyl)butanimidamide
• CAS: 1261181-03-6
• 化学式: C₁₀H₁₃ClN₂
• 分子量: 196.68
• InChiKey: MIDIBTIKUQHFDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  38.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(4-chlorophenyl)butyrimidamide 在 lithium hydroxide monohydrate 作用下， 以 四氢呋喃 、 水 、 异丙醇 为溶剂， 反应 12.0h， 生成 lithium 1-(4-chlorophenyl)-2-propyl-1H-imidazole-4-carboxylate
  参考文献：
  名称：

  Design and Synthesis of Novel Arylpiperazine Derivatives Containing the Imidazole Core Targeting 5-HT_2A Receptor and 5-HT Transporter

  摘要：

  Serotonin antagonist reuptake inhibitor (SARI) drugs that block both 5-HT2 receptors and the serotonin transporters have been developed. The human 5-HT2A/2C receptor has been implicated in several neurological conditions, and potent selective 5-HT2A/2C ligands may have therapeutic potential for treatment of CNS diseases such as depression. An imidazole moiety usually provides good pharmacokinetic properties as a drug substance, and thus considerable efforts have been devoted to develop imidazole derivatives into drug candidates. The imidazole series of compounds was evaluated against 5-HT2A/2C and serotonin reuptake inhibition. A few of the compounds in the series showed promising IC50 values and antidepressant-like effect in in vivo forced swimming test (FST). On the basis of these results, further lead optimization studies resulted in identifying promising compounds potentially for therapeutic use.

  DOI：

  10.1021/jm200682b
• 作为产物：
  描述：

  丁腈 、 对氯苯胺 在 aluminum (III) chloride 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以60%的产率得到N-(4-chlorophenyl)butyrimidamide
  参考文献：
  名称：

  [EN] NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  [FR] NOUVEAUX DÉRIVÉS IMIDAZOLE-4-CARBOXAMIDE CONTENANT DE L'ARYLPIPÉRAZINE ET COMPOSITION PHARMACEUTIQUE CONTENANT CES DÉRIVÉS

  摘要：

  公开号：

  WO2011005052A8

文献信息

• NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  申请人：Lee Jinhwa

  公开号：US20120115881A1

  公开（公告）日：2012-05-10

  A novel arylpiperazine-containing imidazole 4-carboxamide derivative or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising the same as an active ingredient for preventing or treating a depressive disorder are provided.

  本发明提供了一种新的含有芳基哌嗪基的咪唑-4-羧酰胺衍生物或其药学上可接受的盐，并且提供了一种以其为活性成分的制药组合物，用于预防或治疗抑郁症。
• Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same
  申请人：Lee Jinhwa

  公开号：US08835436B2

  公开（公告）日：2014-09-16

  A novel arylpiperazine-containing imidazole 4-carboxamide derivative or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising the same as an active ingredient for preventing or treating a depressive disorder are provided.

  本发明提供了一种新的含有芳基哌嗪基和咪唑-4-羧酰胺衍生物或其药学上可接受的盐，以及一种包含该衍生物作为活性成分的药物组合物，用于预防或治疗抑郁症。
• US8835436B2
  申请人：——

  公开号：US8835436B2

  公开（公告）日：2014-09-16
• [EN] NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME<br/>[FR] NOUVEAUX DÉRIVÉS IMIDAZOLE-4-CARBOXAMIDE CONTENANT DE L’ARYLPIPÉRAZINE ET COMPOSITION PHARMACEUTIQUE CONTENANT CES DÉRIVÉS
  申请人：GREEN CROSS CORP

  公开号：WO2011005052A2

  公开（公告）日：2011-01-13

  A novel arylpiperazine-containing imidazole 4-carboxamide derivative or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising the same as an active ingredient for preventing or treating a depressive disorder are provided.