2-(4-benzhydrylpiperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)ethan-1-amine hydrochloride | 1240266-85-6

• 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: 2-(4-benzhydrylpiperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)ethan-1-amine hydrochloride
• CAS: 1240266-85-6
• 化学式: C₃₂H₃₈N₄O*ClH
• 分子量: 531.141
• InChiKey: RLUSOIISSDWVFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.21
• 重原子数：
  38.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  44.54
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  4-phenyl-2-propyl-1,3-oxazole-5-carbaldehyde 、 2-(4-benzhydrylpiperazin-1-yl)ethan-1-amine 在 sodium triacetoxyborohydride 、 盐酸 作用下， 以 二氯甲烷 、 乙醚 为溶剂， 生成 2-(4-benzhydrylpiperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)ethan-1-amine hydrochloride
  参考文献：
  名称：

  Synthesis and biological evaluation of oxazole derivatives as T-type calcium channel blockers

  摘要：

  T-type calcium channel is one of therapeutic targets for the treatment of cardiovascular diseases and neuropathic pain. In this study, as a part of our ongoing efforts to develop potent T-type calcium channel blockers, we designed oxazole derivatives substituted with arylpiperazinylalkylamines. The oxazoles were synthesized in a convenient convergent synthetic method, and biologically evaluated against alpha(1G) (Ca(V)3.1) T-type calcium channel. Among total 41 oxazole compounds synthesized, the most active one was the compound 10-35 with an IC(50) value of 0.65 mu M, which is comparable with that of mibefradil. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.030