4-甲基-6-吡啶-3-嘧啶-2-胺 | 90916-52-2

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 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: 4-甲基-6-吡啶-3-嘧啶-2-胺
• 中文别名: 4-甲基-6-吡啶-3-基嘧啶-2-胺
• 英文名称: 3-(2-amino-4-methylpyrimidin-6-yl)pyridine
• 英文别名: 4-methyl-6-(pyridin-3-yl)pyrimidin-2-amine；4-methyl-6-pyridin-3-yl-pyrimidin-2-ylamine；4-methyl-6-pyridin-3-yl-pyrimidin-2-yl-amine；2-Amino-4-methyl-6-pyridin-3-yl>-pyrimidin；2-Amino-4-methyl-6-β-pyridyl-pyrimidin；2-Amino-4-methyl-6-pyridyl-(2)-pyrimidin；4-methyl-6-pyridin-3-ylpyrimidin-2-amine
• CAS: 90916-52-2
• 化学式: C₁₀H₁₀N₄
• 分子量: 186.216
• InChiKey: RUMJWDANHSNYCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  64.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-甲基-6-吡啶-3-嘧啶-2-胺 在 羟胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 二甲基亚砜 为溶剂， 反应 22.0h， 生成
  参考文献：
  名称：

  CN116768854

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氨基-4-氯-6-甲基嘧啶 、 3-吡啶硼酸 在 bis-triphenylphosphine-palladium(II) chloride sodium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 7.0h， 以74%的产率得到4-甲基-6-吡啶-3-嘧啶-2-胺
  参考文献：
  名称：

  Synthesis of New N-Arylpyrimidin-2-amine Derivatives Using a Palladium Catalyst

  摘要：

  通过应用优化的Buchwald-Hartwig氨基化条件，使用二氯双(三苯基膦)钯(II)、xantphos和叔丁醇钠，在氮气氛围下于回流甲苯中，从相应的胺合成了新型N-芳基-4-(吡啶-3-基)嘧啶-2-胺衍生物。所得到的N-芳基衍生物产率从中等到良好，范围在27%至82%之间。描述的程序可广泛用于制备新型杂环化合物。新化合物的结构通过FT-NMR、FT-IR和元素分析得到了确认。

  DOI：

  10.3390/molecules13040818

文献信息

• Pyrimidine Derivatives As HSP90 Inhibitors
  申请人：Chessari Gianni

  公开号：US20090215777A1

  公开（公告）日：2009-08-27

  The invention provides a compound for use as an inhibitor of Hsp90, the compound having the formula (I): or salts, tautomers, solvates or N-oxides thereof; wherein: A is N or a group CR 3 ; R 1 is a monocyclic or bicyclic carbocyclic or heterocyclic ring of 5 to 10 ring members of which up to two ring members may be heteroatoms selected from N, O and S and the remainder are carbon atoms, the carbocyclic or heterocyclic ring being optionally substituted by one or more substituent groups independently selected from R 10 ; and R 2 , R 3 and R 10 are as defined in the claims.

  该发明提供了一种化合物，用作Hsp90的抑制剂，该化合物具有以下式（I）：或其盐、互变异构体、溶剂合物或N-氧化物；其中：A为N或CR基团；R1为由5至10个环成员组成的单环或双环碳环或杂环，其中最多两个环成员可以是从N、O和S中选择的杂原子，其余为碳原子，碳环或杂环可以选择地被一个或多个取代基独立地选择自R10的取代基取代；而R2、R3和R10如权利要求中所定义。
• Directed supramolecular assembly of Cu(<scp>ii</scp>)-based “paddlewheels” into infinite 1-D chains using structurally bifunctional ligands
  作者：Christer B. Aakeröy、Nate Schultheiss、John Desper

  DOI：10.1039/b513765a

  日期：——

  The construction of Cu(II)-containing supramolecular chains is achieved by combining suitable anionic ligands (for controlling the coordination geometry and for creating a neutral building block) with four new bifunctional ligands containing a metal-coordinating pyridyl site and a self-complementary hydrogen-bonding moiety. Seven crystal structures are presented and in each case, the copper(II) complex displays a “paddlewheel” arrangement, with four carboxylate ligands occupying the equatorial sites, leaving room for the bifunctional ligand to coordinate in the axial positions. The supramolecular chemistry, which organizes the coordination-complexes into the desired infinite 1-D chains, is driven by a combination of N–H⋯N and N–H⋯O hydrogen-bonds in five of the seven structures.

  通过将合适的阴离子配体（用于控制配位几何和创建中性构件）与四种新的双功能配体（包含一个金属配位吡啶基位点和一个自互补氢键分子）相结合，可以构建含铜（II）的超分子链。本文展示了七种晶体结构，每种情况下，铜（II）配合物都呈现 "桨轮 "排列，四个羧酸配体占据赤道位点，为双功能配体在轴向位点配位留出了空间。在七种结构中的五种结构中，NâHâ¯N 和 NâHâ¯O 氢键的组合推动了超分子化学反应，这种化学反应将配位复合物组织成所需的无限一维链。
• Design and synthesis of new anticancer pyrimidines with multiple-kinase inhibitory effect
  作者：Ibrahim Mustafa El-Deeb、So Ha Lee

  DOI：10.1016/j.bmc.2010.04.037

  日期：2010.6.1

  A new series of N-substituted-2-aminopyrimidines based on the '4-(pyridin-3-yl)pyrimidin-2-amine' scaffold of Imatinib has been designed and synthesized. A selected group from the target compounds was tested over a panel of 60 cancer cell lines at a single dose concentration of 10 mu M, and the two most active compounds, 25b and 30, were further tested in a five-dose testing mode to determine their IC50 values over the 60 cell lines. Compound 30 has showed good potencies and high efficacies, and was accordingly tested at a single dose concentration of 10 mu M over a panel of 54 kinases. At this concentration, the compound has showed multiple inhibitions over a number of oncogenic kinases, including ABL1, AKT1, LCK, C-SRC, PIM1, FLT3, FYN, and KDR. A molecular modeling study was made by docking of the most active compound 30 and its inactive analog 29 into the kinase domain of ABL1 to investigate their possible binding interactions. (C) 2010 Elsevier Ltd. All rights reserved.
• Directed Supramolecular Assembly of Infinite 1-D M(II)-Containing Chains (M = Cu, Co, Ni) Using Structurally Bifunctional Ligands
  作者：Christer B. Aakeröy、Nate Schultheiss、John Desper

  DOI：10.1021/ic048405y

  日期：2005.7.1

  The directed assembly of six different M(II) complexes (M = Cu, Co, and Ni) into infinite chains has been achieved by combining anionic chelating ligands (for controlling the coordination geometry) with bifunctional ligands containing a metal-coordinating pyridyl moiety and a self-complementary hydrogen-bonding moiety. Six crystal structures are presented, and in each case, the chelating acac ligand occupies the four equatorial coordination sites leaving room for the bifunctional ligand to coordinate in the axial positions. The supramolecular chemistry, which organizes the coordination complexes into the desired infinite 1-D chains, is driven by a combination of N-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds.
• PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS
  申请人：Astex Therapeutics Limited

  公开号：EP2049497A2

  公开（公告）日：2009-04-22