2-(4,6-dimorpholin-4-yl-pyrimidin-2-yl)-1-(3,4-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-β-carboline | 1237643-45-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 2-(4,6-dimorpholin-4-yl-pyrimidin-2-yl)-1-(3,4-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-β-carboline
• 英文别名: 4-[2-[1-(3,4-Dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]morpholine
• CAS: 1237643-45-6
• 化学式: C₃₁H₃₆N₆O₄
• 分子量: 556.665
• InChiKey: SQOLFLXPPXNZLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  吗啉 、 2-(4,6-dichloropyrimidin-2-yl)-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-β-carboline 反应 10.0h， 以78%的产率得到2-(4,6-dimorpholin-4-yl-pyrimidin-2-yl)-1-(3,4-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-β-carboline
  参考文献：
  名称：

  Synthesis of 2-(pyrimidin-2-yl)-1-phenyl-2,3,4,9-tetrahydro-1H-β-carbolines as antileishmanial agents

  摘要：

  A series of 2-(pyrimidin-2-yl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline derivatives has been synthesized and evaluated for antileishmanial activity against Leishmania donovani. Compound 8 exhibited best antileishmanial activity with IC50 value of 1.93 mu g/ml against amastigotes, high selectivity index, and was more active than reference drugs sodium stilbogluconate and pentamidine. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.04.004

文献信息

• Synthesis of 2-(pyrimidin-2-yl)-1-phenyl-2,3,4,9-tetrahydro-1H-β-carbolines as antileishmanial agents
  作者：Ravi Kumar、Shahnawaz Khan、Aditya Verma、Saumya Srivastava、Preeti Viswakarma、Suman Gupta、Sanjeev Meena、Neetu Singh、Jayanta Sarkar、Prem M.S. Chauhan

  DOI：10.1016/j.ejmech.2010.04.004

  日期：2010.8

  A series of 2-(pyrimidin-2-yl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline derivatives has been synthesized and evaluated for antileishmanial activity against Leishmania donovani. Compound 8 exhibited best antileishmanial activity with IC50 value of 1.93 mu g/ml against amastigotes, high selectivity index, and was more active than reference drugs sodium stilbogluconate and pentamidine. (C) 2010 Elsevier Masson SAS. All rights reserved.