2-(3-phenylpiperazin-1-yl)-6-propylsulfonyl-1H-benzimidazole | 1412450-93-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(3-phenylpiperazin-1-yl)-6-propylsulfonyl-1H-benzimidazole
• CAS: 1412450-93-1
• 化学式: C₂₀H₂₄N₄O₂S
• 分子量: 384.502
• InChiKey: YRUGRFUNIYAGBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  86.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 为溶剂， 生成 2-(3-phenylpiperazin-1-yl)-6-propylsulfonyl-1H-benzimidazole
  参考文献：
  名称：

  Identification of a novel and orally available benzimidazole derivative as an NPY Y5 receptor antagonist with in vivo efficacy

  摘要：

  Optimization of lead compound 2 is described, mainly focusing on modification at the C-2 position of the benzimidazole core. Replacement of the phenyl linker of 2 with saturated rings resulted in identification of compound 8b which combines high Y5 receptor binding affinity with a good ADME profile leading to in vivo efficacy. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.025

文献信息

• Identification of a novel and orally available benzimidazole derivative as an NPY Y5 receptor antagonist with in vivo efficacy
  作者：Yuusuke Tamura、Naoki Omori、Naoki Kouyama、Yuji Nishiura、Kyouhei Hayashi、Kana Watanabe、Yukari Tanaka、Takeshi Chiba、Hideo Yukioka、Hiroki Sato、Takayuki Okuno

  DOI：10.1016/j.bmcl.2012.09.025

  日期：2012.11

  Optimization of lead compound 2 is described, mainly focusing on modification at the C-2 position of the benzimidazole core. Replacement of the phenyl linker of 2 with saturated rings resulted in identification of compound 8b which combines high Y5 receptor binding affinity with a good ADME profile leading to in vivo efficacy. (C) 2012 Elsevier Ltd. All rights reserved.