2-[[4-[3-(4-Chlorophenyl)-3-(4-fluorophenyl)propanoyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid | 1266101-28-3

• 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-[3-(4-Chlorophenyl)-3-(4-fluorophenyl)propanoyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
• CAS: 1266101-28-3
• 化学式: C₂₄H₂₃ClFN₃O₄
• 分子量: 471.916
• InChiKey: DLQAOFQOVCFMOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  86.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  C₂₅H₂₅ClFN₃O₄ 在 水 、 sodium hydroxide 作用下， 生成 2-[[4-[3-(4-Chlorophenyl)-3-(4-fluorophenyl)propanoyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
  参考文献：
  名称：

  Facile synthesis and biological evaluation of 3,3-diphenylpropanoyl piperazines as T-type calcium channel blockers

  摘要：

  We have developed a facile synthesis of 3,3-diphenylpropanamides using Meldrum's acid derivatives as amide coupling components. The in vitro biological evaluation of the title compounds led to the identification of compound 1h, which has good inhibitory activity against T-type calcium channel (IC50 = 0.83 mu M). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.033

文献信息

• Facile synthesis and biological evaluation of 3,3-diphenylpropanoyl piperazines as T-type calcium channel blockers
  作者：Yeon-hee Choi、Du Jong Baek、Seon Hee Seo、Jae Kyun Lee、Ae Nim Pae、Yong Seo Cho、Sun-Joon Min

  DOI：10.1016/j.bmcl.2010.11.033

  日期：2011.1

  We have developed a facile synthesis of 3,3-diphenylpropanamides using Meldrum's acid derivatives as amide coupling components. The in vitro biological evaluation of the title compounds led to the identification of compound 1h, which has good inhibitory activity against T-type calcium channel (IC50 = 0.83 mu M). (C) 2010 Elsevier Ltd. All rights reserved.