1,3,5-tris(2,2-dimethoxyethyl)-1,3,5-triazinane | 265670-66-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: 1,3,5-tris(2,2-dimethoxyethyl)-1,3,5-triazinane
• 英文别名: 1,3,5-tris(2,2-dimethoxyethyl)[1,3,5]triazinane
• CAS: 265670-66-4
• 化学式: C₁₅H₃₃N₃O₆
• 分子量: 351.444
• InChiKey: QELBLPNABJIRNN-UHFFFAOYSA-N

物化性质

• 沸点：
  370.2±42.0 °C(Predicted)
• 密度：
  1.062±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  24
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  二乙酰一肟 、 1,3,5-tris(2,2-dimethoxyethyl)-1,3,5-triazinane 以 乙醇 为溶剂， 反应 2.0h， 生成 1-(2,2-dimethoxyethyl)-4,5-dimethyl-1H-imidazole 3-oxide
  参考文献：
  名称：

  通过2-未取代的咪唑N-氧化物与CH-酸和芳基乙二醛的组装合成高功能咪唑衍生物

  摘要：

  基于咪唑N-氧化物与CH-酸和芳基乙二醛的三组分缩合反应，已开发出一种新颖，方便的合成多种多官能咪唑衍生物的方法。该反应在多种起始原料下以中等至良好的收率顺利进行。

  DOI：

  10.1016/j.tet.2020.130947
• 作为产物：
  描述：

  聚合甲醛 、 氨基乙醛缩二甲醇 以 二氯甲烷 为溶剂， 反应 2.0h， 以95%的产率得到1,3,5-tris(2,2-dimethoxyethyl)-1,3,5-triazinane
  参考文献：
  名称：

  异山lob氮平的新方法。来那沙明的简单合成

  摘要：

  本文描述了一种生物碱伦诺沙明1的全合成方法，该方法可方便，通用地进行异吲哚并氮杂ze庚因的短步合成。

  DOI：

  10.1016/s0040-4020(00)00067-3

文献信息

• <i>Tetra</i>-Substituted Pyridinylimidazoles As Dual Inhibitors of p38α Mitogen-Activated Protein Kinase and c-Jun <i>N</i>-Terminal Kinase 3 for Potential Treatment of Neurodegenerative Diseases
  作者：Felix Muth、Marcel Günther、Silke M. Bauer、Eva Döring、Sabine Fischer、Julia Maier、Peter Drückes、Jürgen Köppler、Jörg Trappe、Ulrich Rothbauer、Pierre Koch、Stefan A. Laufer

  DOI：10.1021/jm501557a

  日期：2015.1.8

  Tetra-substituted imidazoles were designed as dual inhibitors of c-Jun N-terminal kinase (JNK) 3 and p38α mitogen-activated protein (MAP) kinase. A library of 45 derivatives was prepared and evaluated in a kinase activity assay for their ability to inhibit both kinases, JNK3 and p38α MAP kinase. Dual inhibitors with IC50 values down to the low double-digit nanomolar range at both enzymes were identified

  四取代的咪唑被设计为c-Jun N末端激酶（JNK）3和p38α丝裂原活化蛋白（MAP）激酶的双重抑制剂。制备了45种衍生物的文库，并在激酶活性分析中评估了它们抑制JNK3和p38αMAP激酶这两种激酶的能力。两种酶的IC 50值均降至低两位数纳摩尔范围的双重抑制剂已被鉴定。最佳平衡的双重JNK3 /p38αMAP激酶抑制剂为6m（IC 50：JNK3，18 nM;p38α，30 nM）和14d（IC 50：JNK3，26 nM；p38α，34 nM）兼具出色的溶解性和代谢稳定性。它们可以用作临床前原则证明研究的有用工具化合物，以验证两种激酶在亨廷顿舞蹈病进展中的协同作用。
• Tetrasubstituted Imidazole Inhibitors of Cytokine Release:  Probing Substituents in the N-1 Position
  作者：Stefan A. Laufer、Werner Zimmermann、Kathrin J. Ruff

  DOI：10.1021/jm0496584

  日期：2004.12.1

  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.
• Compositions and Methods Including Hexahydrotriazines Useful as Direct Injection Fuel Additives
  申请人：Cosimbescu Lelia

  公开号：US20100107476A1

  公开（公告）日：2010-05-06

  A fuel, fuel additive concentrate, and method for removing and/or preventing the occurrence of deposits in a fuel injector of an injection engine are provided. The additive concentrate contains at least one hexahydro triazine.
• Synthesis of highly functional imidazole derivatives via assembly of 2-unsubstituted imidazole N-oxides with CH-acids and arylglyoxals
  作者：Valery P. Perevalov、Vitaly S. Mityanov、Boris V. Lichitsky、Andrey N. Komogortsev、Ludmila G. Kuz’mina、Tatyana Yu. Koldaeva、Vladimir S. Miroshnikov、Anton V. Kutasevich

  DOI：10.1016/j.tet.2020.130947

  日期：2020.2

  A novel and convenient method for the synthesis of a wide range of polyfunctional imidazole derivatives based on the three-component condensation of imidazole N-oxides with CH-acids and arylglyoxals has been developed. This reaction proceeds smoothly in moderate-to-good yields with a wide range of starting materials.

  基于咪唑N-氧化物与CH-酸和芳基乙二醛的三组分缩合反应，已开发出一种新颖，方便的合成多种多官能咪唑衍生物的方法。该反应在多种起始原料下以中等至良好的收率顺利进行。
• A New Approach to Isoindolobenzazepines. A Simple Synthesis of Lennoxamine
  作者：Axel Couture、Eric Deniau、Pierre Grandclaudon、Christophe Hoarau

  DOI：10.1016/s0040-4020(00)00067-3

  日期：2000.3

  A convenient and versatile short-step synthesis of isoindolobenzazepines, illustrated by a total synthesis of the alkaloid lennoxamine 1, is described.

  本文描述了一种生物碱伦诺沙明1的全合成方法，该方法可方便，通用地进行异吲哚并氮杂ze庚因的短步合成。