2,4-双(二甲氨基)嘧啶-6-羧酸 | 386715-39-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2,4-双(二甲氨基)嘧啶-6-羧酸
• 英文名称: 2,4-bis(dimethylamino)pyrimidine-6-carboxylic acid
• 英文别名: 2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid
• CAS: 386715-39-5
• 化学式: C₉H₁₄N₄O₂
• mdl: MFCD01568143
• 分子量: 210.236
• InChiKey: DWPRJVXKQCFURP-UHFFFAOYSA-N

物化性质

• 熔点：
  164-168°C
• 沸点：
  419.5±55.0 °C(Predicted)
• 密度：
  1.278±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S36/37
• 危险类别码：
  R43
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  2,4-双(二甲氨基)嘧啶-6-羧酸 在 碘 、 2-肟氰乙酸乙酯 、 N,N'-二异丙基碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 N,N'-(disulfanediylbis(ethane-2,1-diyl))bis(2,6-bis(dimethylamino)pyrimidine-4-carboxamide)
  参考文献：
  名称：

  Modulation of Amyloidogenic Protein Self-Assembly Using Tethered Small Molecules

  摘要：

  Protein-protein interactions (PPIs) are involved in many of life's essential biological functions yet are also an underlying cause of several human diseases, including amyloidosis. The modulation of PPIs presents opportunities to gain mechanistic insights into amyloid assembly, particularly through the use of methods which can trap specific intermediates for detailed study. Such information can also provide a starting point for drug discovery. Here, we demonstrate that covalently tethered small molecule fragments can be used to stabilize specific oligomers during amyloid fibril formation, facilitating the structural characterization of these assembly intermediates. We exemplify the power of covalent tethering using the naturally occurring truncated variant (ΔN6) of the human protein β2-microglobulin (β2m), which assembles into amyloid fibrils associated with dialysis-related amyloidosis. Using this approach, we have trapped tetramers formed by ΔN6 under conditions which would normally lead to fibril formation and found that the degree of tetramer stabilization depends on the site of the covalent tether and the nature of the protein-fragment interaction. The covalent protein-ligand linkage enabled structural characterization of these trapped, off-pathway oligomers using X-ray crystallography and NMR, providing insight into why tetramer stabilization inhibits amyloid assembly. Our findings highlight the power of "post-translational chemical modification" as a tool to study biological molecular mechanisms.

  DOI：

  10.1021/jacs.0c10629

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。
• 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors
  申请人：Ennis Michael Dalton

  公开号：US20080176857A1

  公开（公告）日：2008-07-24

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula I: wherein A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , A 7 , A 8 , X 4 , X 6 , R 2 , R 4 , R 5 , and R 6 are as defined in the detailed description of the invention. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  本发明揭示了化合物及其药物可接受的盐，其中化合物具有公式I的结构：其中A1、A2、A3、A4、A5、A6、A7、A8、X4、X6、R2、R4、R5和R6如本发明详细描述中所定义。本发明还揭示了相应的药物组合物、治疗方法、合成方法和中间体。
• Polyurethane catalyst and application thereof
  申请人：JIANGSU OSIC PERFORMANCE MATERIALS CO. LTD.

  公开号：US10889681B2

  公开（公告）日：2021-01-12

  A polyurethane catalyst comprises a sodium compound, the sodium compound being 1 to 60 wt % of the polyurethane catalyst by the mass percent, and further comprises a tertiary amine and/or pyridine compound. The sodium compound and the tertiary amine and/or pyridine compound achieve a synergistic effect; during the catalysis of the polymerization of isocyanate and polyalcohol, the speed of the polymerization reaction is increased; and the prepared polyurethane material has excellent physical properties, does not contain any heavy metal element at all, is an environment-friendly catalyst, solves the technical problem of ensuring environmental protection, safety and the catalytic efficiency of the polyurethane catalyst, and is particularly applicable to the preparation of polyurethane synthetic leather resin slurry, a polyurethane elastomer (prepolymer), a polyurethane coating, a polyurethane adhesive, a polyurethane composite material, flexible polyurethane foam, and a rigid polyurethane material.

  一种聚氨酯催化剂包括钠化合物，钠化合物占聚氨酯催化剂的质量百分比为 1 至 60 wt%，还包括叔胺和/或吡啶化合物。钠化合物和叔胺和/或吡啶化合物具有协同效应；在催化异氰酸酯和多元醇聚合的过程中，聚合反应的速度得到提高；本发明制备的聚氨酯材料物理性能优异，不含任何重金属元素，属于环境友好型催化剂，解决了确保聚氨酯催化剂环保、安全和催化效率的技术难题，特别适用于制备聚氨酯合成革树脂浆料、聚氨酯弹性体（预聚物）、聚氨酯涂料、聚氨酯胶粘剂、聚氨酯复合材料、软质聚氨酯泡沫塑料和硬质聚氨酯材料。
• WO2006/100591
  申请人：——

  公开号：——

  公开（公告）日：——
• 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS
  申请人：Pharmacia & Upjohn Company LLC

  公开号：EP1874780A1

  公开（公告）日：2008-01-09