5,6,7-trimethyl-1,2,4-triazolo[1,5-a]pyrimidine | 20865-07-0

• 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: 5,6,7-trimethyl-1,2,4-triazolo[1,5-a]pyrimidine
• 英文别名: 5,6,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidine；5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
• CAS: 20865-07-0
• 化学式: C₈H₁₀N₄
• 分子量: 162.194
• InChiKey: RJQYGSWTGQEGOJ-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  5,6,7-trimethyl-1,2,4-triazolo[1,5-a]pyrimidine 、 silver nitrate 以 乙醇 为溶剂， 生成 [Ag(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine)(NO3)]2
  参考文献：
  名称：

  A dinuclear silver compound with 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine with a short Ag–Ag bond. Synthesis, characterization, single-crystal structure analysis and cytostatic activity

  摘要：

  A new dinuclear coordination compound with the ligand 5,6,7-trimethyl[1,2,4] triazolo[1,5-a]pyrimidine (abbreviated as tmtp) is described, together with its 3D crystal structures and spectroscopic properties. The compound shows a high cytostatic activity in ovarian cancer cell lines.The solid state structure of the compound is dinuclear based, in which the ligand tmtp uses two nitrogens (N3 and N4) to chelate to two different Ag(I) ions. The Ag-Ag distance is relatively short (3.109 angstrom), but is considered as too long for M-M bonding. The Ag(I) coordination is completed by weakly coordinated, asymmetric bidentate nitrate anions (Ag-O = 2.481-2.819 angstrom). (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.10.014
• 作为产物：
  描述：

  4-hydroxy-3-methylpent-3-en-2-one 、 alkaline earth salt of/the/ methylsulfuric acid 在 哌啶 、 乙醇 作用下， 生成 5,6,7-trimethyl-1,2,4-triazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  Buelow; Haas, Chemische Berichte, 1909, vol. 42, p. 4640

  摘要：

  DOI：

文献信息

• [EN] ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS<br/>[FR] COMPOSÉS URÉE HÉTÉROCYCLIQUES SUBSTITUÉS PAR AMIDE ET SULFONAMIDE ANTIBACTÉRIENS
  申请人：REPLIDYNE INC

  公开号：WO2009015208A1

  公开（公告）日：2009-01-29

  The present invention provides novel amide and sulfonamide substituted heterocyclic urea compounds having useful antibacterial activity. Use of these compounds as pharmaceutical compositions and method of their production are also provided.

  本发明提供了具有有用抗菌活性的新型酰胺和磺胺基取代的杂环脲化合物。同时还提供了将这些化合物用作药物组合物以及它们的生产方法。
• Coordination chemistry of 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine with first-row transition-metal salts: Synthesis, spectroscopy and single-crystal structures, with counter-anion dependence of the structures
  作者：J. Huub Adriaanse、Sven H.C. Askes、Yorrick van Bree、Stefan van Oudheusden、Eelke D. van den Bos、Esref Günay、Ilpo Mutikainen、Urho Turpeinen、Gerard A. van Albada、Jaap G. Haasnoot、Jan Reedijk

  DOI：10.1016/j.poly.2009.07.001

  日期：2009.9

  A variety of new coordination compounds with transition-metal salts and the ligand trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (abbreviated as tmtp) is described, together with several of their 3D crystal structures and spectroscopic and magnetic properties. The compounds were selected based on the coordination ability of the counterion, halide, nitrate, sulfate, thiocyanate and perchlorate. The formed

  描述了与过渡金属盐和配体三甲基-[1,2,4]三唑并[1,5-a]嘧啶（缩写为tmtp）的各种新配位化合物，以及它们的一些3D晶体结构和光谱和磁性。根据抗衡离子，卤离子，硝酸根，硫酸根，硫氰酸根和高氯酸根的配位能力选择化合物。发现形成的配位化合物及其配位数强烈依赖于阳离子和使用的抗衡阴离子。研究的几种化合物具有以下结构式：[CuCl 2（tmtp）2]，[CuBr 2（tmtp）2]，[ZnBr 2（tmtp）2]，[Cu（NO 3）2（tmtp）2]， [CuSO 4（tmtp）2] 2（H 2 O）（MeOH），[Cu（H 2 O）（NCS）2（tmtp）2]，[Zn（NCS）2（tmtp）2]，[Cd（ NCS）2（tmtp）2]和[M（H 2 O）2（tmtp）4]（BF 4）2，其中M = Co，Ni，Zn。新的配位化合物已通过NMR，（远）IR和LF光谱以及Cu（II）化合物的
• New organometallic ruthenium(<scp>ii</scp>) complexes with purine analogs – a wide perspective on their biological application
  作者：Marzena Fandzloch、Tomasz Jędrzejewski、Liliana Dobrzańska、Ginés M. Esteban-Parra、Joanna Wiśniewska、Agata Paneth、Piotr Paneth、Jerzy Sitkowski

  DOI：10.1039/d0dt03974h

  日期：——

  than cisplatin. At the same time, 3 has shown antimetastatic activity comparable to NAMI-A against HeLa cells both after 24 and 48 h of treatment in a wound healing assay. In order to better understand the mechanism of anticancer action and differences in the cytotoxic activity of 1–3, the studies were expanded to determining their lipophilicity, the kinetic stability at pH 6.5–8, the effect on reactive

  含有嘌呤类似物的三个半夹心有机金属钌( II )配合物，例如通式为[(η 6 - p -cym)Ru(L)Cl 2 ]的三唑并嘧啶，其中p -cym代表p -伞花烃，L为5,6 ,7-三甲基-1,2,4-三唑并[1,5- a ]嘧啶（ 1的tmtp），5,7-二乙基-1,2,4-三唑并[1,5 -a ]嘧啶（1的detp） 2 ) 和 5-甲基-1,2,4-三唑并[1,5- a ]嘧啶-7(4 H )-酮 (HmtpO for 3 ) 已被合成并通过元素分析、红外、多核磁共振进行表征光谱技术（ 1 H、 13 C、 15 N）和单晶 X 射线衍射（ 1和2 ）。所有这些复合物均已针对 MCF-7 和 HeLa 细胞系以及 L929 小鼠成纤维细胞的体外细胞毒性进行了彻底筛选，表明 [(η 6 - p -cym)Ru(HmtpO)Cl 2 ] ( 3 ) 作为对抗 HeLa 细胞系最活跃的代表，同时对正常
• [EN] HETEROCYCLIC INHIBITORS OF ENPP1<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES D'ENPP1
  申请人：VOLASTRA THERAPEUTICS INC

  公开号：WO2021257614A1

  公开（公告）日：2021-12-23

  The present disclosure relates generally to inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1), compositions thereof, and methods of using said compounds and compositions thereof. More specifically, the present disclosure relates to triazolopyrimidine and imidazolopyrimidine inhibitors of ENPP1 and methods of their use for treating disease mediated by ENPP1.

  本公开涉及抑制细胞外核苷酸焦磷酸酶/磷酸二酯酶1（ENPP1）的抑制剂，其组成物和使用该化合物和其组成物的方法。更具体地，本公开涉及三唑嘧啶和咪唑嘧啶抑制剂的ENPP1及其使用方法，用于治疗由ENPP1介导的疾病。
• Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds
  申请人：Guiles Joseph

  公开号：US20120015941A1

  公开（公告）日：2012-01-19

  The present invention provides novel amide and sulfonamide substituted heterocyclic urea compounds having useful antibacterial activity. Use of these compounds as pharmaceutical compositions and method of their production are also provided.

  本发明提供了一种具有有用的抗菌活性的新型酰胺和磺酰胺取代的杂环脲化合物。还提供了这些化合物作为药物组成物的使用和它们的制备方法。