2-thiomethyl-4, 6-bisstyrylpyrimidine

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2-thiomethyl-4, 6-bisstyrylpyrimidine
• 英文别名: 2-methylthio-(E,E)-4,6-bis-styrylpyrimidine；2-methylsulfanyl-4,6-bis[(E)-2-phenylethenyl]pyrimidine
• 化学式: C₂₁H₁₈N₂S
• 分子量: 330.453
• InChiKey: AYFXLGBQPPTNFL-QUMQEAAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,6-二甲基-2-巯基嘧啶 在 potassium tert-butylate 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 2.5h， 生成 2-thiomethyl-4, 6-bisstyrylpyrimidine
  参考文献：
  名称：

  基于嘧啶的一系列新型弯曲形双光子吸收发色团的简便合成和系统研究

  摘要：

  标记我们弯曲！报道了一系列基于嘧啶的（弯曲形）分子的合成，结构以及单光子和双光子光谱性质。这些使得可以推导出用于TPA化合物开发和应用的结构-属性关系和指南。

  DOI：

  10.1002/asia.200800402

文献信息

• Small molecules that protect against β-amyloid-induced cytotoxicity by inhibiting aggregation of β-amyloid
  作者：Yun Suk Lee、Hye Yun Kim、YoungSoo Kim、Jae Hong Seo、Eun Joo Roh、Hogyu Han、Kye Jung Shin

  DOI：10.1016/j.bmc.2012.06.045

  日期：2012.8

  Aggregated beta-amyloid (A beta) plays crucial roles in Alzheimer's disease (AD) pathogenesis, therefore blockade of Ab aggregation is considered as a potential therapeutic target. We designed and synthesized small molecules to reduce A beta-induced cytotoxicity by inhibiting A beta aggregation. The small molecules were screened via ThT, MTT, and cell-based cytotoxicity assay (A beta burden assay). Selected compounds 1c, 1d, 1e, and 1f were then investigated by evaluating their effects on cognitive impairment of acute AD mice model. Learning and memory dysfunction by injection of A beta(1-42) was recovered by administration of these molecules. Especially, 1d showed the best recovery activity in Y-maze task, object recognition task, and passive avoidance task with dose dependent manner. These results suggest that 1d has high potential as a therapeutic agent for AD. (C) 2012 Elsevier Ltd. All rights reserved.
• Facile Synthesis and Systematic Investigations of a Series of Novel Bent-Shaped Two-Photon Absorption Chromophores Based on Pyrimidine
  作者：Lin Li、Yu-Peng Tian、Jia-Xiang Yang、Ping-Ping Sun、Jie-Ying Wu、Hong-Ping Zhou、Sheng-Yi Zhang、Bao-Kang Jin、Xiao-Juan Xing、Chuan-Kui Wang、Ming Li、Guang-Hua Cheng、Huo-Hong Tang、Wen-Hao Huang、Xu-Tang Tao、Min-Hua Jiang

  DOI：10.1002/asia.200800402

  日期：2009.5.4

  Mark us bent! The synthesis, structure, and single‐ and two‐photon spectroscopic properties of a series of pyrimidine‐based (bent‐shaped) molecules are reported. These allow structure‐property relationships and guidelines for both the development and application of TPA compounds to be derived.

  标记我们弯曲！报道了一系列基于嘧啶的（弯曲形）分子的合成，结构以及单光子和双光子光谱性质。这些使得可以推导出用于TPA化合物开发和应用的结构-属性关系和指南。