{2-[3,5-bis(2-(dimethylamino)ethyl)[1,3,5]triazinan-1-yl]ethyl}dimethylamine | 30564-49-9

• 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: {2-[3,5-bis(2-(dimethylamino)ethyl)[1,3,5]triazinan-1-yl]ethyl}dimethylamine
• 英文别名: N,N',N''-tris(dimethylaminoethyl)hexahydro-s-triazine；Tris-(2-dimethylaminoethyl)-hexahydrotriazin；1,3,5-tris-(2-dimethylamino-ethyl)-[1,3,5]triazinane；N-(2-{3,5-Bis[2-(dimethylamino)ethyl]-1,3,5-triazinan-1-YL}ethyl)-N,N-dimethylamine；2-[3,5-bis[2-(dimethylamino)ethyl]-1,3,5-triazinan-1-yl]-N,N-dimethylethanamine
• CAS: 30564-49-9
• 化学式: C₁₅H₃₆N₆
• mdl: MFCD00299833
• 分子量: 300.491
• InChiKey: WUAMAQYHYCLPCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  19.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  {2-[3,5-bis(2-(dimethylamino)ethyl)[1,3,5]triazinan-1-yl]ethyl}dimethylamine 、 N-{4-[2-(4-fluorophenyl)-2-hydroxyliminoacetyl]pyridin-2-yl}acetamide 以 乙醇 为溶剂， 反应 6.0h， 以69%的产率得到N-{4-[3-(2-dimethylaminoethyl)-5-(4-fluorophenyl)-1-oxy-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：

  聚合甲醛 、 N,N-二甲基乙二胺 以 水 为溶剂， 反应 1.0h， 以60.3%的产率得到{2-[3,5-bis(2-(dimethylamino)ethyl)[1,3,5]triazinan-1-yl]ethyl}dimethylamine
  参考文献：
  名称：

  Synthesis of Hexadentate Hexahydro-1,3,5-triazine-Based Ligands and their Copper(I) Complexes

  摘要：

  Hexadentate ligands were formed by the reaction of primary dimethylaminoethyl- or methoxyethylamines with formaldehyde. The resulting N,N',N"-functionalized hexahydro-1,3,5-triazines contain pending amino or ether functionalities which are able to coordinate to metals in addition to the ring nitrogen atoms. Both ligands were reacted with CuBr, and novel tricopper clusters were isolated and characterized by X-ray structure analysis. In these compounds a ring nitrogen atom, the pending amino or ether functionality, and two bridging bromine atoms coordinate each of the copper atoms.

  DOI：

  10.1007/s007060200085

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。
• INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER
  申请人：Pauls Heinz W.

  公开号：US20100105900A1

  公开（公告）日：2010-04-29

  A CPT inhibitor compound is represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof: or a pharmaceutically acceptable salt thereof. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of treating a subject having cancer comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  一种CPT抑制剂化合物由结构式(I)或其药学上可接受的盐所代表：或其药学上可接受的盐。一种制药组合物包括由结构式(I)或其药学上可接受的盐所代表的化合物。一种治疗患有癌症的受试者的方法包括向该受试者施用由结构式(I)或其药学上可接受的盐所代表的治疗有效量的化合物。
• Verfahren zur Herstellung von lichtbeständigen Polyurethan-Integralschaumstoffen
  申请人：BASF Aktiengesellschaft

  公开号：EP0006150A1

  公开（公告）日：1980-01-09

  Zur Herstellung von lichtstabilen Polyurethan-Integralschaumstoffen, insbesondere Weichintegralschaumstoffen, werden aliphatische und/oder cycloaliphatische Polyisocyanate, vorzugsweise urethan- und/oder biuretgruppenhaltige aliphatische und/oder cycloaliphatische Polyisocyanate mit Polyolen in Gegenwart von Treibmitteln, einer synergistisch wirkenden Katalysatorkombination, bestehend aus Alkalihydroxiden, Alkalialkoholaten, Alkaliphenolaten, Alkalisalzen schwacher Säuren und/oder Hexahydrotriazin-derivaten und einer organischen Zinn-, Zink- und/oder Eisen(II)-verbindung sowie gegebenenfalls Hilfs- und Zusatzstoffen zur Reaktion gebracht. Vorzugsweise verwendet wird eine Katalysatorkombination aus Tri-(dimehtylaminopropyl)-s-hexahydrotriazin und Dibutylzinndilaurat. Polyurethan-Integralschaumstoffe in der flexiblen Einstellung eignen sich zur Herstellung von Automobilteilen, wie Nackenstützen, Armlehnen, Crash-pads und Stoßstangen, Schuhsohlen und Sportmatten; die harten Einstellungen finden Verwendung als Sportartikel, Fensterrahmen und Holzersatz.

  为了生产轻质稳定的自结皮聚氨酯泡沫，特别是软质自结皮泡沫，脂肪族和/或环 脂族多异氰酸酯，最好是含有氨基甲酸酯和/或双脲基团的脂肪族和/或环脂族多异 氰酸酯，在发泡剂的作用下与多元醇混合、由碱金属氢氧化物、碱金属醇酸盐、碱金属苯酚盐、弱酸的碱金属盐和/或 六氢三嗪衍生物、有机锡、锌和/或铁（II）化合物组成的协同催化剂组合，以及可 选的助剂和添加剂。 最好使用三(二氨甲基氨基丙基)-六氢三嗪和二月桂酸二丁基锡的催化剂组合。 软质的聚氨酯自结皮泡沫适用于制造汽车部件，如头枕、扶手、防撞垫和保险杠、鞋底和运动垫；硬质的则可用作体育用品、窗框和木材替代品。
• Reactivity drift and catalyst degradation in polyurethane foam
  申请人：Keske David G.

  公开号：US10385177B2

  公开（公告）日：2019-08-20

  The invention is directed to methods of preparing compositions used to manufacture polyurethane foams. The invention provides methods for making compositions used to make polyurethane foams that include amine catalysts, but formulated such that catalytic potency is not diminished over time before the forming of a foam.

  本发明涉及用于制造聚氨酯泡沫的组合物的制备方法。本发明提供了用于制造聚氨酯泡沫的组合物的制备方法，这些组合物包括胺催化剂，但配制成泡沫形成之前，其催化效力不会随时间推移而降低。