N-(4-Methoxy-6-methylpyrimidin-2-yl)thiourea | 93744-72-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(4-Methoxy-6-methylpyrimidin-2-yl)thiourea
• 英文别名: (4-methoxy-6-methylpyrimidin-2-yl)thiourea
• CAS: 93744-72-0
• 化学式: C₇H₁₀N₄OS
• 分子量: 198.249
• InChiKey: QZKUAGTZVSTUDG-UHFFFAOYSA-N

物化性质

• 熔点：
  222-223 °C
• 沸点：
  395.3±34.0 °C(Predicted)
• 密度：
  1.374±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(4-Methoxy-6-methylpyrimidin-2-yl)thiourea 、 2-(氯磺酰基)苯甲酸甲酯 在 碳酸氢钠 、 硫酸二甲酯 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 methyl 2-[[1-(4-methoxy-6-methylpyrimidin-2-ylimino)-1-(methylthio)methyl]aminosulfonyl]benzoate
  参考文献：
  名称：

  Herbicidal N-hydroxy-N'-sulfonylguanidines

  摘要：

  描述了一种新型的N-羟基-N'-磺酰基胍衍生物，具有显著的除草和植物生长调节活性，可用于控制不受欢迎的植被。

  公开号：

  US04689070A1
• 作为产物：
  描述：

  N-[(4-Methoxy-6-methylpyrimidin-2-yl)aminothioxomethyl]benzamide 在 sodium hydroxide 作用下， 生成 N-(4-Methoxy-6-methylpyrimidin-2-yl)thiourea
  参考文献：
  名称：

  Herbicidal N-hydroxy-N'-sulfonylguanidines

  摘要：

  描述了一种新型的N-羟基-N'-磺酰基胍衍生物，具有显著的除草和植物生长调节活性，可用于控制不受欢迎的植被。

  公开号：

  US04689070A1

文献信息

• Synthesis and evaluation of a new series of substituted acyl(thio)urea and thiadiazolo [2,3-a] pyrimidine derivatives as potent inhibitors of influenza virus neuraminidase
  作者：Chuanwen Sun、Xiaodong Zhang、Hai Huang、Pei Zhou

  DOI：10.1016/j.bmc.2006.08.034

  日期：2006.12

  A series of substituted acyl(thio)urea and 2H-1,2,4-thiadiazolo [2,3-a] pyrimidine derivatives were prepared and both of their cell culture and enzymatic activity toward influenza virus were tested. Their in vitro neuraminidase inhibitory activities were in good agreement with the corresponding activities in cultured cells and they were evaluated as potent neuraminidase inhibitors. Of the analogues

  制备了一系列取代的酰基（硫）脲和2H-1,2,4-噻二唑[2,3-a]嘧啶衍生物，并测试了它们的细胞培养和对流感病毒的酶活性。它们的体外神经氨酸酶抑制活性与培养细胞中的相应活性高度吻合，并且被评价为有效的神经氨酸酶抑制剂。在显示IC（50）s <0.1microM的类似物中，有16和60被进一步研究，认为它们具有未来发展的最大潜力。描述了代表性化合物的分子对接工作，以提供对其作用机理的更多见解，并进一步使本文中该新系列的观察合理化，该新系列代表了新型的高效和选择性的流感病毒抑制剂。
• NOVEL TRF1 MODULATORS AND ANALOGUES THEREOF
  申请人：Fundación del Sector Público Estatal Centro Nacional de Investigaciones Oncológicas Carlos III (F.S.P. CNIO)

  公开号：EP3623370A1

  公开（公告）日：2020-03-18

  Novel TRF1 modulators and analogues thereof. There is provided compounds of Formula I, wherein R, R1, R2 and X have meanings written in the description. Such compounds are useful as TRF1 inhibitors and, for that reason, as medicaments, in the treatment of cancer, particularly high cancer stem cell cancer like glioblastoma and lung cancer, and can be also useful for the development of additional TRF1 inhibitors and increasing knowledge about TRF1 activity.

  提供了Formula I的化合物，其中R、R1、R2和X的含义如描述中所述。这些化合物可用作TRF1抑制剂，因此可用作药物，用于治疗癌症，特别是高癌干细胞癌症，如胶质母细胞瘤和肺癌，并且还可用于开发额外的TRF1抑制剂，并增进对TRF1活性的了解。
• A novel class of potent influenza virus inhibitors: Polysubstituted acylthiourea and its fused heterocycle derivatives
  作者：Chuanwen Sun、Hai Huang、Meiqing Feng、Xunlong Shi、Xiaodong Zhang、Pei Zhou

  DOI：10.1016/j.bmcl.2005.09.033

  日期：2006.1

  A series of polysubstituted and fused heterocycle derivatives of acylthiourea was prepared and the biological activity against influenza virus was evaluated. Of the analogues that demonstrated IC(50)s < 0.1 mu M, acylthiourea derivatives 16 and 50 were further investigated as candidates with the most potential for future development. The SAR of these compounds are discussed and they represent a novel class of highly potent and selective inhibitors of influenza virus. (c) 2005 Published by Elsevier Ltd.
• Synthesis of azinylthioureas and their heterocyclization using α-chloroacetoacetic ester
  作者：V. V. Dovlatyan、K. A. Eliazyan、E. A. Ghazaryan、A. P. Yengoyan

  DOI：10.1007/s10593-006-0097-z

  日期：2006.3
• SHAPIRO, RAFAEL
  作者：SHAPIRO, RAFAEL

  DOI：——

  日期：——