3-(2-吡啶基)-2H-吡啶并[1,2-a]-s-三嗪-2,4(3H)-二酮 | 18510-73-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 3-(2-吡啶基)-2H-吡啶并[1,2-a]-s-三嗪-2,4(3H)-二酮
• 英文名称: 3-(2-pyridyl)-2H-pyrido<1,2-a>-1,3,5-triazine-2,4(3H)-dione
• 英文别名: 3-(2-pyridyl)2,3,4,5-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione；3-(pyridin-2-yl)-2H-pyrido[1,2-a][1,3,5]triazine-2,4(3H)-dione；3-pyridin-2-yl-pyrido[1,2-a][1,3,5]triazine-2,4-dione；3-(2-pyridyl)-3,4-dihydro-2H-pyrido[1,2-a]-1,3,5-triazine-2,4-dione；2-<2-Pyridyl>pyrido<1,2-a><1,3,5>triazin-1,3-dion；3-(2-Pyridyl)-2H-pyrido[1,2-a]-s-triazine-2,4(3H)-dione；3-pyridin-2-ylpyrido[1,2-a][1,3,5]triazine-2,4-dione
• CAS: 18510-73-1
• 化学式: C₁₂H₈N₄O₂
• 分子量: 240.221
• InChiKey: QWCFGQWRKCDRBZ-UHFFFAOYSA-N

物化性质

• 熔点：
  211-214°C
• 沸点：
  404.4±37.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（轻微）、甲醇（轻微、加热）

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-吡啶基)-2H-吡啶并[1,2-a]-s-三嗪-2,4(3H)-二酮 生成 2-异氰酸酯吡啶
  参考文献：
  名称：

  Fiksdahl, Anne; Plueg, Carsten; Wentrup, Curt, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 9, p. 1841 - 1845

  摘要：

  DOI：
• 作为产物：
  描述：

  2-吡啶甲酸 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 2.5h， 以66%的产率得到3-(2-吡啶基)-2H-吡啶并[1,2-a]-s-三嗪-2,4(3H)-二酮
  参考文献：
  名称：

  SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS

  摘要：

  本发明涉及新型取代桥式脲化合物，相应的相关类似物，药物组合物以及其使用方法。本发明的抑制素调节化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和疾病，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块疾病、炎症、癌症和/或潮红有关的疾病或疾病，以及那些会受益于增加线粒体活性的疾病或疾病。本发明还涉及包含抑制素调节化合物与另一治疗剂组合的组合物。

  公开号：

  US20150152108A1

文献信息

• [EN] SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS<br/>[FR] ANALOGUES D'URÉE PONTÉS SUBSTITUÉS EN TANT QUE MODULATEURS DE SIRTUINE
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2016079709A1

  公开（公告）日：2016-05-26

  The present invention relates to novel substituted bridged urea analog compounds of Formula (I) or pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions, processes for making and use of such compounds, alone or in combination with other therapeutic agents, as Sirtuin Modulators useful for increasing lifespan of a cell, and for use in treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity.

  本发明涉及一种新型的取代桥式脲类似物化合物，其化学式为（I）或其药学上可接受的盐，相应的药物组合物，制备这种化合物的方法以及单独使用或与其他治疗剂联合使用的这些化合物作为Sirtuin调节剂，可用于增加细胞寿命，并用于治疗和/或预防各种疾病和紊乱，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块紊乱、炎症、癌症和/或潮红有关的疾病或紊乱，以及那些会受益于增加线粒体活性的疾病或紊乱。
• [EN] NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE TOXINE DE CLOSTRIDIUM DIFFICILE
  申请人：VENENUM BIODESIGN LLC

  公开号：WO2017214359A1

  公开（公告）日：2017-12-14

  The present invention relates to benzodiazepine derivative compounds of formula (I), or pharmaceutically acceptable salts thereof. The present benzodiazepine compounds are useful Clostridium difficile inhibitors in the treatment of Clostridium difficile infection in humans. The present invention provides a pharmaceutical composition containing benzodiazepine compounds of formula (I) and a method of making as well as a method of using the same in treating patients infected with Clostridium difficile infection by administering the same. The compounds of the present invention may be used in combination with additional antibiotics or anti-toxin antibody drugs.

  本发明涉及式(I)的苯二氮卓衍生物化合物，或其药学上可接受的盐。目前的苯二氮卓衍生物在治疗人类的克罗斯特氏梭菌感染中是有用的抑制剂。本发明提供了一种含有式(I)的苯二氮卓化合物的药物组合物，以及制备该药物组合物的方法和使用该药物组合物治疗感染克罗斯特氏梭菌的患者的方法。本发明的化合物可以与额外的抗生素或抗毒素抗体药物结合使用。
• Thermal decomposition of 2H-(1,2,4)oxadiazolo(2,3-a)pyridine-2-thione and 2H-(1,2,4)oxadiazolo(2,3-b)pyridazine-2-thiones: Generation of aza-heteroaromatic .ALPHA.-isocyanates and their utilization for the synthesis of unsymmetrical disubstituted ureas.
  作者：AKIO OHSAWA、HEIHACHIRO ARAI、HIROSHI IGETA

  DOI：10.1248/cpb.28.3570

  日期：——

  Thermal decomposition of 2H-[1, 2, 4] oxadiazolo [2, 3-a] pyridine-2-thione afforded 3-(2-pyridyl)-2H-pyrido [1, 2-a]-1, 3, 5-triazine-2, 4 (3H)-dione and 1, 3-di (2-pyridyl) urea, and similar decomposition of its pyridazine analog afforded 3-(3-pyridazinyl)-2H-pyridazino [1, 6-a]-1, 3, 5-triazine-2, 4 (3H)-dione and 1, 3-di (3-pyridazinyl) urea. Aza-heteroaromatic α-isocyanates, which are intermediates in the decomposition, were utilized for the synthesis of unsymmetrical 1, 3-disubstituted ureas.

  2H-[1, 2, 4]噁二唑[2, 3-a]吡啶-2-硫酮的热分解生成了3-(2-吡啶基)-2H-吡啶[1, 2-a]-1, 3, 5-三嗪-2, 4(3H)-二酮和1, 3-二(2-吡啶基)脲，而其吡唑类似物的类似分解则生成了3-(3-吡唑基)-2H-吡唑[1, 6-a]-1, 3, 5-三嗪-2, 4(3H)-二酮和1, 3-二(3-吡唑基)脲。在分解过程中产生的氮杂杂环α-异氰酸酯被用于合成不对称的1, 3-二取代脲。
• Diphosphonic acid compounds, processes for the preparation thereof and
  申请人：Fujisiwa Pharmaceutical Co., Ltd.

  公开号：US04857513A1

  公开（公告）日：1989-08-15

  A compound of the formula: ##STR1## wherein R.sup.1 --A-- is a group of the formula: ##STR2## in which R.sup.1 is aryl or a heterocyclic group, each of which may be substituted with substituent(s) selected from the group consisting of lower alkyl, lower alkoxy, lower alkylthio, halo(lower)alkyl, acyl, acylamino and halogen, or lower alkyl which may be substituted with a heterocyclic group optionally substituted with acyl, and X is O or S, and R.sup.2 is hydrogen or lower alkyl, provided that when R.sup.1 is lower alkyl, then R.sup.1 --A-- is a group of the formula: ##STR3## in which R.sup.1 and X are each as defined above, and pharmaceutically acceptable salts thereof, processes for the preparation thereof and pharmaceutical composition comprising the same.

  一种化合物的公式为：##STR1##其中R.sup.1 --A--是以下公式的一个基团：##STR2##其中R.sup.1是芳基或杂环基，每个基团可以用来取代的取代基包括下列基团：较低烷基、较低烷氧基、较低烷硫基、卤代(较低)烷基、酰基、酰胺基和卤素，或者可以用杂环基取代的较低烷基，该杂环基可以选择性地用酰基取代，X为氧或硫，R.sup.2为氢或较低烷基，但当R.sup.1为较低烷基时，R.sup.1 --A--是以下公式的一个基团：##STR3##其中R.sup.1和X如上定义，以及其药学上可接受的盐，其制备方法和包含相同的药物组合物。
• Substituted bridged urea analogs as sirtuin modulators
  申请人：GlaxoSmithKline Intellectual Property (No.2) Limited

  公开号：US10072011B2

  公开（公告）日：2018-09-11

  The present invention relates to novel substituted bridged urea analog compounds of Formula (I) or pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions, processes for making and use of such compounds, alone or in combination with other therapeutic agents, as Sirtuin Modulators useful for increasing lifespan of a cell, and in treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity.

  本发明涉及式(I)的新型取代桥脲类似物化合物或其药学上可接受的盐、相应的药物组合物、这类化合物单独或与其他治疗剂组合的制造工艺和用途，作为Sirtuin调节剂可用于增加细胞的寿命、以及治疗和/或预防多种疾病和失调，这些疾病和失调包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、凝血障碍、炎症、癌症和/或潮红有关的疾病或失调，以及可从线粒体活性增强中获益的疾病或失调。