2-(4,6-dichloropyrimidin-2-yl)-1-(2,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-β-carboline | 1237643-37-6

• 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-dichloropyrimidin-2-yl)-1-(2,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-β-carboline
• 英文别名: 2-(4,6-Dichloropyrimidin-2-yl)-1-(2,5-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
• CAS: 1237643-37-6
• 化学式: C₂₃H₂₀Cl₂N₄O₂
• 分子量: 455.343
• InChiKey: KSBSUBDERJBYFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  63.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine 、 2,5-二甲氧基苯甲醛 在 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以72%的产率得到2-(4,6-dichloropyrimidin-2-yl)-1-(2,5-dimethoxyphenyl)-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.