N-(3-(4-(3-(1-(4-chlorophenyl)-1H-benzo[d]imidazol-2-ylamino)propyl)piperazin-1-yl)phenyl)acetamide | 1246385-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: N-(3-(4-(3-(1-(4-chlorophenyl)-1H-benzo[d]imidazol-2-ylamino)propyl)piperazin-1-yl)phenyl)acetamide
• 英文别名: N-[3-[4-[3-[[1-(4-chlorophenyl)benzimidazol-2-yl]amino]propyl]piperazin-1-yl]phenyl]acetamide
• CAS: 1246385-32-9
• 化学式: C₂₈H₃₁ClN₆O
• 分子量: 503.047
• InChiKey: PBVBPXGSZSMYCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  65.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 2-chloro-1-(4-chlorophenyl)-1H-benzimidazole 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 生成 N-(3-(4-(3-(1-(4-chlorophenyl)-1H-benzo[d]imidazol-2-ylamino)propyl)piperazin-1-yl)phenyl)acetamide
  参考文献：
  名称：

  Discovery of novel, orally available benzimidazoles as melanin concentrating hormone receptor 1 (MCHR1) antagonists

  摘要：

  Melanin concentrating hormone (MCH) is an important mediator of energy homeostasis and plays role in several disorders such as obesity, stress, depression and anxiety. The synthesis and biological evaluation of novel benzimidazole derivatives as MCHR1 antagonists are described. The in vivo proof of principle for weight loss with a lead compound from this series is exemplified. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.086

文献信息

• Discovery of novel, orally available benzimidazoles as melanin concentrating hormone receptor 1 (MCHR1) antagonists
  作者：Pradip K. Sasmal、Sanjita Sasmal、P. Tirumala Rao、B. Venkatesham、M. Roshaiah、Chandrasekhar Abbineni、Ish Khanna、Vikram P. Jadhav、J. Suresh、Rashmi Talwar、Syed Muzeeb、Jean-Marie Receveur、Thomas M. Frimurer、Øystein Rist、Lisbeth Elster、Thomas Högberg

  DOI：10.1016/j.bmcl.2010.07.086

  日期：2010.9

  Melanin concentrating hormone (MCH) is an important mediator of energy homeostasis and plays role in several disorders such as obesity, stress, depression and anxiety. The synthesis and biological evaluation of novel benzimidazole derivatives as MCHR1 antagonists are described. The in vivo proof of principle for weight loss with a lead compound from this series is exemplified. (c) 2010 Elsevier Ltd. All rights reserved.