2,2'-(6-chloro-1,3,5-triazine-2,4-diyl)bis(1,2,3,4-tetrahydroisoquinoline) | 377049-72-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2,2'-(6-chloro-1,3,5-triazine-2,4-diyl)bis(1,2,3,4-tetrahydroisoquinoline)
• 英文别名: 2-[4-Chloro-6-(1,2,3,4-tetrahydroisoquinolin-2-YL)-1,3,5-triazin-2-YL]-1,2,3,4-tetrahydroisoquinoline；2-[4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinoline
• CAS: 377049-72-4
• 化学式: C₂₁H₂₀ClN₅
• mdl: MFCD02817170
• 分子量: 377.876
• InChiKey: BTVPFQCDWASNAL-UHFFFAOYSA-N

物化性质

• 熔点：
  130-132 °C
• 沸点：
  611.9±65.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  45.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(3-氨丙基)吗啉 、 2,2'-(6-chloro-1,3,5-triazine-2,4-diyl)bis(1,2,3,4-tetrahydroisoquinoline) 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以65%的产率得到4,6-bis(3,4-dihydroisoquinolin-2(1H)-yl)-N-(3-morpholinopropyl)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  Discovery of new 1,3,5-triazine scaffolds with potent activity against Mycobacterium tuberculosis H37Rv

  摘要：

  A series of eighty one 2,4,6-trisubstituted-1,3,5-triazines were synthesized and evaluated in vitro for the growth inhibition of Mycobacterium tuberculosis H37Rv. Fifteen compounds from this series exhibited good to moderate activity with an MIC in the range 1.56-3.12 mu g/mL and most of them were found to be nontoxic against VERO cells and MBMDMQs (mouse bone marrow derived macrophages). This is for the first time that 2,4,6-trisubstituted-1,3,5-triazines were identified as a potent inhibitors of M. tuberculosis H37Rv. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.04.017
• 作为产物：
  描述：

  四氢异喹啉 、 三聚氯氰 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 4.5h， 以83%的产率得到2,2'-(6-chloro-1,3,5-triazine-2,4-diyl)bis(1,2,3,4-tetrahydroisoquinoline)
  参考文献：
  名称：

  Discovery of new 1,3,5-triazine scaffolds with potent activity against Mycobacterium tuberculosis H37Rv

  摘要：

  A series of eighty one 2,4,6-trisubstituted-1,3,5-triazines were synthesized and evaluated in vitro for the growth inhibition of Mycobacterium tuberculosis H37Rv. Fifteen compounds from this series exhibited good to moderate activity with an MIC in the range 1.56-3.12 mu g/mL and most of them were found to be nontoxic against VERO cells and MBMDMQs (mouse bone marrow derived macrophages). This is for the first time that 2,4,6-trisubstituted-1,3,5-triazines were identified as a potent inhibitors of M. tuberculosis H37Rv. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.04.017

文献信息

• Discovery of new 1,3,5-triazine scaffolds with potent activity against Mycobacterium tuberculosis H37Rv
  作者：Naresh Sunduru、Leena Gupta、Vinita Chaturvedi、Richa Dwivedi、Sudhir Sinha、Prem M.S. Chauhan

  DOI：10.1016/j.ejmech.2010.04.017

  日期：2010.8

  A series of eighty one 2,4,6-trisubstituted-1,3,5-triazines were synthesized and evaluated in vitro for the growth inhibition of Mycobacterium tuberculosis H37Rv. Fifteen compounds from this series exhibited good to moderate activity with an MIC in the range 1.56-3.12 mu g/mL and most of them were found to be nontoxic against VERO cells and MBMDMQs (mouse bone marrow derived macrophages). This is for the first time that 2,4,6-trisubstituted-1,3,5-triazines were identified as a potent inhibitors of M. tuberculosis H37Rv. (C) 2010 Elsevier Masson SAS. All rights reserved.