1,3,5-tris[3-(morpholin-4-yl)propyl][1,3,5]triazinane | 5434-22-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 1,3,5-tris[3-(morpholin-4-yl)propyl][1,3,5]triazinane
• 英文别名: 1,3,5-tris-(3-morpholino-propyl)-hexahydro-[1,3,5]triazine；1,3,5-Tris-(3-morpholino-propyl)-hexahydro-[1,3,5]triazin；1,3,5-Tris[3-(morpholin-4-yl)propyl]-1,3,5-triazinane；4-[3-[3,5-bis(3-morpholin-4-ylpropyl)-1,3,5-triazinan-1-yl]propyl]morpholine
• CAS: 5434-22-0
• 化学式: C₂₄H₄₈N₆O₃
• 分子量: 468.684
• InChiKey: VADQIACNJVNDKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  47.1
• 氢给体数：
  0
• 氢受体数：
  9

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1,3,5-tris[3-(morpholin-4-yl)propyl][1,3,5]triazinane 、 N-{4-[2-(4-fluorophenyl)-2-hydroxyliminoacetyl]pyridin-2-yl}acetamide 以 乙醇 为溶剂， 反应 6.0h， 以65%的产率得到N-{4-[5-(4-fluorophenyl)-1-oxy-3-(3-(morpholin-4-yl)propyl)-3H-imidazol-4-yl]pyridin-2-yl}acetamide
  参考文献：
  名称：

  Tetrasubstituted Imidazole Inhibitors of Cytokine Release:  Probing Substituents in the N-1 Position

  摘要：

  We prepared novel 1,2,4,5-tetrasubstituted imidazole derivatives with high anti-inflammatory activity by using our previously described regiospecific synthesis. Systematic optimization of the imidazole N-1 substituent resulted in compound 9b that potently inhibited the mitogen-activated protein kinase p38 (p38 IC50 = 0.218 muM) as well as the release of the proinflammatory cytokines interleukin-1beta (IL-1beta) and tumor necrosis factor alpha. (TNFalpha) from human whole blood after stimulation with LPS. Furthermore, compound 9b exhibited reduced cytochrome P450 interaction in comparison with SB203580. This result is particularly important, since cytochrome P450 interaction is observed for some p38 inhibitors and in turn can potentially cause drug-drug interaction or lead to other hepatic changes such as P450 enzyme induction.

  DOI：

  10.1021/jm0496584
• 作为产物：
  描述：

  N-(3-氨丙基)吗啉 、 聚合甲醛 生成 1,3,5-tris[3-(morpholin-4-yl)propyl][1,3,5]triazinane
  参考文献：
  名称：

  US2675382

  摘要：

  公开号：

文献信息

• 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry
  申请人：——

  公开号：US20040116416A1

  公开（公告）日：2004-06-17

  The invention relates to 2-thio-substituted imidazole derivatives of the formula I 1 in which the radicals R 1 , R 2 , R 3 and R 4 are as defined in the description. The compounds according to the invention have immunomodulating and/or cytokine-release-inhibiting action and are therefore suitable for treating disorders associated with a disturbed immune system.

  本发明涉及公式I1中的2-硫代取代咪唑衍生物，其中基团R1，R2，R3和R4如描述中所定义。根据本发明的化合物具有免疫调节和/或细胞因子释放抑制作用，因此适用于治疗与免疫系统紊乱相关的疾病。
• 2-Thio-substituted imidazole derivatives and their use in pharmaceutics
  申请人：Laufer Stefan

  公开号：US20060252810A1

  公开（公告）日：2006-11-09

  The invention relates to 2-thio-substituted imidazole derivatives of the formula I in which the radicals R 1 , R 2 , R 3 , R 4 and p are as defined in the description. The compounds according to the invention have immunomodulating and/or cytokine-release-inhibiting action and are therefore suitable for treating disorders associated with a disturbed immune system.

  本发明涉及公式I中的2-硫代取代咪唑衍生物，其中基团R1，R2，R3，R4和p如描述中所定义。本发明的化合物具有免疫调节和/或细胞因子释放抑制作用，因此适用于治疗与免疫系统紊乱有关的疾病。
• GB1471668
  申请人：——

  公开号：——

  公开（公告）日：——
• 2-THIO-SUBSITUIERTE IMIDAZOLDERIVATIVE UND IHRE VERWENDUNG IN DER PHARMAZIE
  申请人：MERCKLE GMBH

  公开号：EP1362045B1

  公开（公告）日：2004-11-17
• US7253191B2
  申请人：——

  公开号：US7253191B2

  公开（公告）日：2007-08-07