N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine | 399044-12-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine
• CAS: 399044-12-3
• 化学式: C₇H₁₂N₆O₃
• 分子量: 228.211
• InChiKey: GBBMHUZDNQNFDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,4-二氯-6-吗啉基-1,3,5-三嗪 在 盐酸羟胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 14.0h， 生成 N-[4-(hydroxyamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydroxylamine
  参考文献：
  名称：

  Synthesis and antiproliferating activity of iron chelators of hydroxyamino-1,3,5-triazine family

  摘要：

  We synthesized and evaluated new specific tridentate iron(III) chelators of 2,6-bis[hydroxyamino]-1,3,5-triazine (BHT) family for use in iron deprivation cancer therapy. Physical properties of BHT chelators are easily customizable allowing easy penetration through cellular membranes. Antiproliferative activity of new BHT chelators was studied on MDA-MB-231 and MiaPaCa cells and compared to a clinically available new oral iron chelator, deferasirox (DFX). The antiproliferative activity of new chelators was found to correlate with iron(III) chelation ability and some of analogs showed substantially higher antiproliferative activity than DFX. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.130

文献信息

• Synthesis and antiproliferating activity of iron chelators of hydroxyamino-1,3,5-triazine family
  作者：Daekyu Sun、Galina Melman、Nickolas J. LeTourneau、Allison M. Hays、Artem Melman

  DOI：10.1016/j.bmcl.2009.11.130

  日期：2010.1

  We synthesized and evaluated new specific tridentate iron(III) chelators of 2,6-bis[hydroxyamino]-1,3,5-triazine (BHT) family for use in iron deprivation cancer therapy. Physical properties of BHT chelators are easily customizable allowing easy penetration through cellular membranes. Antiproliferative activity of new BHT chelators was studied on MDA-MB-231 and MiaPaCa cells and compared to a clinically available new oral iron chelator, deferasirox (DFX). The antiproliferative activity of new chelators was found to correlate with iron(III) chelation ability and some of analogs showed substantially higher antiproliferative activity than DFX. (C) 2009 Elsevier Ltd. All rights reserved.