N-[(4-phenyl-2-propyl-1,3-oxazol-5-yl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine;hydrochloride | 1240266-80-1

• 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: N-[(4-phenyl-2-propyl-1,3-oxazol-5-yl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine;hydrochloride
• CAS: 1240266-80-1
• 化学式: C₂₇H₃₃F₃N₄O*ClH
• 分子量: 523.041
• InChiKey: QGHZEPTUUVOWOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.04
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  44.5
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-((4-phenyl-2-propyloxazol-5-yl)methyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propan-1-amine 在 盐酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 N-[(4-phenyl-2-propyl-1,3-oxazol-5-yl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-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

文献信息

• Synthesis and biological evaluation of oxazole derivatives as T-type calcium channel blockers
  作者：Jie Eun Lee、Hun Yeong Koh、Seon Hee Seo、Yi Yeon Baek、Hyewhon Rhim、Yong Seo Cho、Hyunah Choo、Ae Nim Pae

  DOI：10.1016/j.bmcl.2010.05.030

  日期：2010.7

  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.