噻唑-2,4-二胺 | 26246-29-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 中文名称: 噻唑-2,4-二胺
• 中文别名: 2,4-二氨基噻唑
• 英文名称: 4-imino-4,5-dihydro-2-aminothiazole
• 英文别名: 4-imino-4,5-dihydrothiazol-2-ylamine；4-Thiazolamine, 2,5-dihydro-2-imino-；4-imino-1,3-thiazol-2-amine
• CAS: 26246-29-7
• 化学式: C₃H₅N₃S
• mdl: MFCD16664207
• 分子量: 115.159
• InChiKey: ZDDYEEAGRWEWJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  87.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  噻唑-2,4-二胺 、 喹啉-6-甲醛 在 sodium acetate 、 溶剂黄146 作用下， 反应 12.0h， 生成 (5Z)-4-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazol-2-amine
  参考文献：
  名称：

  Synthesis and activity of quinolinyl-methylene-thiazolinones as potent and selective cyclin-dependent kinase 1 inhibitors

  摘要：

  A novel series of quinolinyl-methylene-thiazolinones has been identified as potent and selective cyclin-dependent kinase I (CDK1) inhibitors. Their synthesis and structure activity relationships (SAR) are described. Representative compounds from this class reversibly inhibit CDK1 activity in vitro, and block cell cycle progression in human tumor cell lines, suggesting a potential use as antitumor agents. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.081

文献信息

• Syntheses and characterization of 5-substituted hydantoins and thiazolines—implications for crystal engineering of hydrogen bonded assemblies. Crystal structures † of 5-(2-pyridylmethylene)hydantoin, 5-(2-pyridylmethylene)-2-thiohydantoin, 5-(2-pyridylmethylene)thiazolidine-2,4-dione, 5-(2-pyridylmethylene)rhodanine and 5-(2-pyridylmethylene)pseudothiohydantoin †
  作者：Mubarik M. Chowdhry、D. Michael P. Mingos、Andrew J. P. White、David J. Williams

  DOI：10.1039/b004312p

  日期：——

  bidentate ligands to metal centres whilst retaining on their periphery a range of groups capable of forming triple hydrogen bonds. Their metal complexes have the potential to display interesting magnetic, optical and electrochemical properties when the hydrogen bonds are used for the crystal engineering of solid state materials. Here we report the synthesis and characterization of the six closely related

  一系列六个潜在的双齿 配体描述了由具有亚甲基吡啶基取代基的5元杂环组成的环。这些分子可能是双功能的，充当双齿配体金属中心，同时在其外围保留了能够形成三氢键的一系列基团。当氢键用于固态材料的晶体工程时，它们的金属络合物具有显示出令人感兴趣的磁性，光学和电化学性质的潜力。在这里，我们报告了六个密切相关的分子的合成和表征，5-（2-吡啶基亚甲基）乙内酰脲 我，5-（2-吡啶基亚甲基）-2-硫代乙内酰脲 二，5-（2-吡啶基亚甲基）噻唑烷-2,4-二酮 三，5-（2-吡啶基亚甲基）若丹宁 IV，5-（2-吡啶基亚甲基）假硫代乙内酰脲V和5-（2-吡啶基亚甲基）-2-亚氨基-4-氨基-2,5-二氢噻唑 六。I–VI的固态结构已使用自然丰度固态进行了研究15 N NMR光谱并讨论了I – V的单晶结构。
• VALLS, N.;SEGARRA, V. M.;ALCALDE, E.;MARIN, A.;ELGUERO, J., J. PRAKT. CHEM., 1985, 327, N 2, 251-260
  作者：VALLS, N.、SEGARRA, V. M.、ALCALDE, E.、MARIN, A.、ELGUERO, J.

  DOI：——

  日期：——
• Synthesis and activity of quinolinyl-methylene-thiazolinones as potent and selective cyclin-dependent kinase 1 inhibitors
  作者：Shaoqing Chen、Li Chen、Nam T. Le、Chunlin Zhao、Achyutharao Sidduri、Jian Ping Lou、Christophe Michoud、Louis Portland、Nicole Jackson、Jin-Jun Liu、Fred Konzelmann、Feng Chi、Christian Tovar、Qing Xiang、Yingsi Chen、Yang Wen、Lyubomir T. Vassilev

  DOI：10.1016/j.bmcl.2007.01.081

  日期：2007.4

  A novel series of quinolinyl-methylene-thiazolinones has been identified as potent and selective cyclin-dependent kinase I (CDK1) inhibitors. Their synthesis and structure activity relationships (SAR) are described. Representative compounds from this class reversibly inhibit CDK1 activity in vitro, and block cell cycle progression in human tumor cell lines, suggesting a potential use as antitumor agents. (c) 2007 Elsevier Ltd. All rights reserved.