2,4,6-Trimethyl-1,3,3a,7-tetraaza-inden | 7637-33-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 2,4,6-Trimethyl-1,3,3a,7-tetraaza-inden
• 英文别名: 2,5,7-trimethyl-s-triazolo<1,5-a>pyrimidin；2,5,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidine；2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
• CAS: 7637-33-4
• 化学式: C₈H₁₀N₄
• 分子量: 162.194
• InChiKey: SVEMNCNRFMTMRW-UHFFFAOYSA-N

物化性质

• 熔点：
  180 °C (sublm)(Press: 1 Torr)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基-4,6-二甲基嘧啶 在 PPA 、 盐酸羟胺 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 8.0h， 生成 2,4,6-Trimethyl-1,3,3a,7-tetraaza-inden
  参考文献：
  名称：

  Stanovnik, Branko; Stimac, Anton; Tisler, Miha, Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 577 - 583

  摘要：

  DOI：

文献信息

• Continuous Flow Enables Metallaphotoredox Catalysis in a Medicinal Chemistry Setting: Accelerated Optimization and Library Execution of a Reductive Coupling between Benzylic Chlorides and Aryl Bromides
  作者：Zachary G. Brill、Casey B. Ritts、Umar Faruk Mansoor、Nunzio Sciammetta

  DOI：10.1021/acs.orglett.9b04117

  日期：2020.1.17

  Continuous flow has been used widely in process chemistry and academic settings for various applications. However, initial reaction discovery has generally remained "batch-exclusive" despite the existence of efficient, reproducible flow systems. We hereby disclose a workflow to bridge the gap between early medicinal chemistry efforts and process-scale development, showcased by the discovery and optimization

  连续流已广泛用于过程化学和学术场合中的各种应用。然而，尽管存在有效的，可再现的流动系统，但最初的反应发现通常仍是“批料排斥的”。我们在此公开了一种工作流程，以弥合早期药物化学工作与工艺规模开发之间的差距，这是通过金属氯氧还蛋白催化的苄基氯化物与芳基溴化物之间的交叉偶联的发现和优化，然后由两个复杂的像化合物。
• CHROMAN DERIVATIVES AS TRPM8 INHIBITORS
  申请人：AMGEN INC.

  公开号：US20140045855A1

  公开（公告）日：2014-02-13

  Chroman compounds and derivatives of Formula I are useful inhibitors of TRPM8. Such compounds are useful in treating a number of TRPM8 mediated disorders and conditions and may be used to prepare medicaments and pharmaceutical compositions useful for treating such disorders and conditions. Examples of such disorders include, but are not limited to, migraines and neuropathic pain. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  Formula I的Chroman化合物和衍生物是TRPM8的有用抑制剂。这些化合物在治疗多种由TRPM8介导的疾病和症状方面具有用途，并可用于制备治疗这些疾病和症状的药物和药物组合物。这些疾病的例子包括，但不限于，偏头痛和神经病性疼痛。Formula I的化合物具有以下结构：变量的定义在此提供。
• Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient
  申请人：Kakimoto Takeshi

  公开号：US20070244153A1

  公开（公告）日：2007-10-18

  It is an object of the invention to provide a novel fungicide which exhibits a wide controlling spectrum against pathogens of various crops, and solves the toleration problem. The diamine derivative represented by the formula (1) and a process for preparation of the same, fungicides comprising the same as an active ingredient are disclosed: [wherein R1 is substituents such as an alkyl group having 1 to 6 carbon atoms and the like, R2 and R5 are each independently substituents such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, R3 and R4 are each independently substituents such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, or R3 and R4 may be bonded to each other to form a hydrocarbon ring having 3 to 6 carbon atoms, R6, R7, R8 and R9 are each independently substituents such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, R10 is a substituent such as hydrogen atom, an alkyl group having 1 to 6 carbon atoms and the like, A is an oxygen atom or a sulfur atom, and Q is an aryl group or a heterocycle].

  本发明的目的是提供一种新型杀菌剂，该杀菌剂对各种作物的病原体具有广泛的控制谱，并解决了容忍问题。本发明公开了由式（1）表示的二胺衍生物及其制备方法，以及包含其作为活性成分的杀菌剂：[其中，R1是取代基，例如具有1到6个碳原子的烷基等，R2和R5各自独立地是氢原子、具有1到6个碳原子的烷基等取代基，R3和R4各自独立地是氢原子、具有1到6个碳原子的烷基等取代基，或者R3和R4可以结合在一起形成具有3到6个碳原子的碳氢环，R6、R7、R8和R9各自独立地是氢原子、具有1到6个碳原子的烷基等取代基，R10是氢原子、具有1到6个碳原子的烷基等取代基，A是氧原子或硫原子，Q是芳基或杂环]。
• TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS
  申请人：Biswas Kaustav

  公开号：US20130157996A1

  公开（公告）日：2013-06-20

  Compounds of Formula I are useful as antagonists of TRPM8. Such compounds are useful in treating a number of TRPM8 mediated disorders and conditions and may be used to prepare medicaments and pharmaceutical compositions useful for treating such disorders and conditions. Examples of such disorders include, but are not limited to, migraines and neuropathic pain. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  公式I的化合物可用作TRPM8的拮抗剂。这些化合物在治疗许多TRPM8介导的疾病和病症方面非常有用，并可用于制备用于治疗此类疾病和病症的药物和制剂。此类疾病的示例包括但不限于偏头痛和神经病性疼痛。公式I的化合物具有以下结构：其中变量的定义在此提供。
• Aromatic Compound
  申请人：Furukubo Shigeru

  公开号：US20090182142A1

  公开（公告）日：2009-07-16

  An aromatic compound represented by the following formula or a pharmaceutically acceptable salt thereof: , wherein ring A is a heterocyclic ring, ring B is a carbocyclic ring, a heterocyclic ring etc., G 1 , G 2 , G 3 , G 4 and G 5 are CH or N, X is —NH—, —O—, —CH 2 —, etc., Y is —CH 2 —, —CO—, —SO 2 —, etc., Z is a single bond, —CO—, —SO 2 —, —NH—, —O—, —S—, —CONH—, —SO 2 NH—, etc., R 2 is hydrogen, alkyl, alkoxy, halogen, etc., and R 3 is carbocyclic group, heterocyclic group, alkyl, etc., is useful as a controlling agent of the function of CCR4 useful for the treatment or therapy for bronchial asthma, atopic dermatitis, etc.

  下列的芳香族化合物或其药学上可接受的盐，其化学式如下：其中环A为杂环，环B为碳环、杂环等，G1、G2、G3、G4和G5为CH或N，X为—NH—、—O—、—CH2—等，Y为—CH2—、—CO—、—SO2—等，Z为单键、—CO—、—SO2—、—NH—、—O—、—S—、—CONH—、—SO2NH—等，R2为氢、烷基、烷氧基、卤素等，而R3为碳环基、杂环基、烷基等。该化合物对于控制CCR4功能的作用剂对于治疗或治疗支气管哮喘、特应性皮炎等疾病是有用的。