2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamid | 74537-77-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamid
• 英文别名: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide；2-((4,6-dimethylpyrimidin-2-yl)thio)acetamide；2-(4,6-DMP)SAA
• CAS: 74537-77-2
• 化学式: C₈H₁₁N₃OS
• mdl: MFCD00476649
• 分子量: 197.261
• InChiKey: CYWIRZGTWFPTMH-UHFFFAOYSA-N

物化性质

• 沸点：
  402.1±33.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)
• 溶解度：
  28.5 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  94.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙酰丙酮 在 盐酸 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamid
  参考文献：
  名称：

  Synthesis of 4,6-Dimethylpyrimidine 2-Thiosubstituted Derivatives and Their Preliminary Biological Evaluation

  摘要：

  基于4,6-二甲基嘧啶-2-硫醇盐酸盐，合成了一系列其新颖的S-取代衍生物，其中包括分子中具有吡啶和吡唑环的双环和三环杂环系统。初步生物筛选显示，所得化合物具有明显的植物生长促进活性，这对于这些杂环系统来说是一种新的性质。这一事实表明了进一步开发合成系统以寻找新的植物生长促进剂的前景。

  DOI：

  10.2174/1570178617999200601165334

文献信息

• Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure–Activity Relationship Study
  作者：Matthias Schiedel、Tobias Rumpf、Berin Karaman、Attila Lehotzky、Judit Oláh、Stefan Gerhardt、Judit Ovádi、Wolfgang Sippl、Oliver Einsle、Manfred Jung

  DOI：10.1021/acs.jmedchem.5b01517

  日期：2016.2.25

  Here, we present a well-defined structure–activity relationship study, which rationalizes the unique features of the SirReals and probes the limits of modifications on this scaffold regarding inhibitor potency. Moreover, we present a crystal structure of hSirt2 in complex with an optimized SirReal derivative that exhibits an improved in vitro activity. Lastly, we show cellular hyperacetylation of the

  Sirtuins是NAD +-依赖性蛋白脱酰基酶，其从组蛋白和其他底物蛋白中的赖氨酸的ε-氨基上裂解掉乙酰基以及其他酰基。人类Sirt2（hSirt2）活性的失调与癌症，炎症和神经退行性病变的发病机制有关，这使得对hSirt2活性的调节成为药物干预的有前途的策略。sirtuin重排配体（SirReals）最近已被我们发现为高效且同型选择性的hSirt2抑制剂。在这里，我们提出了一个定义明确的结构-活性关系研究，该研究合理化了SirReals的独特功能，并探讨了该支架在抑制剂效能方面的修饰极限。而且，我们提出了具有优化的SirReal衍生物的hSirt2晶体结构，该衍生物具有改善的体外活性。最后，我们显示了由我们改良的前导结构导致的hSirt2靶向微管蛋白的细胞过度乙酰化。
• [EN] USE OF UREA VARIANTS AS AFFINITY LIGANDS<br/>[FR] UTILISATION DE VARIANTES D'UREES EN TANT QUE LIGANDS A AFFINITE
  申请人：AMERSHAM BIOSCIENCES AB

  公开号：WO2004039765A1

  公开（公告）日：2004-05-13

  The present invention relates to an IgG-binding compound, which more specifically has affinity for human IgGs of k-type and functional derivatives thereof. More specifically, the compound according to the invention comprises an N,N-alkylated urea moiety located between an aromatic part and another part, which is a linear or cyclic substituted or unsubstituted aliphatic group. The compound binds to a pocket-shaped binding site present on all human IgG k-Fabs, which site is located between the two domains (CH1 and CL) of its constant part. Accordingly, the compound according to the invention is a ligand for human IgGs of k-type, and consequently, the invention also relates to a separation matrix for affinity chromatography, which matrix comprises said compound, as well as to other uses of the compound.

  本发明涉及一种IgG结合化合物，更具体地具有对人类k型IgG及其功能衍生物的亲和力。具体而言，本发明的化合物包括位于芳香部分和另一部分之间的N，N-烷基化脲基团，该另一部分是线性或环状取代或未取代的脂肪族基团。该化合物结合到所有人类IgG k-Fab中存在的口袋状结合位点，该位点位于其常数部分的两个域（CH1和CL）之间。因此，本发明的化合物是人类k型IgG的配体，因此，本发明还涉及一种亲和层析的分离基质，该基质包括所述化合物，以及化合物的其他用途。
• [EN] MACROLIDE ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES A BASE DE MACROLIDES
  申请人：GLAXO GROUP LTD

  公开号：WO2002050091A1

  公开（公告）日：2002-06-27

  The present invention relates to 11,12 η lactone ketolides of formula (I) wherein R, R?1, R2, R3¿ are as defined herein and pharmaceutically acceptable salts and solvates thereof, to process for their preparation and their use in therapy or prophylaxis of systemic or topical bacterial infections in a human or animal body.

  本发明涉及式（I）的11,12-η内酯酮类化合物，其中R，R?1，R2，R3¿如本文所定义，并且其药学上可接受的盐和溶剂合物，以及其制备过程和在治疗或预防人类或动物体内的全身性或局部细菌感染中的应用。
• Macrolide antibiotics
  申请人：——

  公开号：US20040077557A1

  公开（公告）日：2004-04-22

  The present invention relates to 11,12 &ggr; lactone ketolides of formula (I) wherein R, R 1 , R 2 , R 3 are as defined herein and pharmaceutically acceptable salts and solvates thereof, to process for their preparation and their use in therapy or prophylaxis of systemic or topical bacterial infections in a human or animal body.

  本发明涉及公式（I）中的11,12 &ggr;内酯酮类化合物，其中R、R1、R2、R3如本文所定义的，以及其药学上可接受的盐和溶剂化物，以及它们的制备方法及在人或动物体内治疗或预防全身或局部细菌感染中的应用。
• Use of urea variants as affinity ligands
  申请人：Axen Andreas

  公开号：US20060014735A1

  公开（公告）日：2006-01-19

  The present invention relates to an IgG-binding compound, which more specifically has affinity for human IgGs of κ-type and functional derivatives thereof. More specifically, the compound according to the invention comprises an N,N-alkylated urea moiety located between an aromatic part and another part, which is a linear or cyclic substituted or unsubstituted aliphatic group. The compound binds to a pocket-shaped binding site present on all human IgG κ-Fabs, which site is located between the two domains (CH1 and CL) of its constant part. Accordingly, the compound according to the invention is a ligand for human IgGs of κ-type, and consequently, the invention also relates to a separation matrix for affinity chromatography, which matrix comprises said compound, as well as to other uses of the compound.

  本发明涉及一种IgG结合化合物，更具体地具有对人类κ型IgG及其功能衍生物的亲和力。更具体地，根据本发明，该化合物包括位于芳香部分和另一部分之间的N,N-烷基化脲基团，该另一部分是线性或环状取代或未取代的脂肪族基团。该化合物结合到所有人类IgG κ-Fab上存在的口袋状结合位点，该位点位于其恒定部分的两个域（CH1和CL）之间。因此，根据本发明，该化合物是人类κ型IgG的配体，因此，本发明还涉及一种亲和层析的分离基质，该基质包括所述化合物，以及该化合物的其他用途。