N-(4-((2-amino-6-chloropyrimidin-4-yloxy)methyl)benzyl)-2,2,2-trifluoroacetamide | 913817-44-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(4-((2-amino-6-chloropyrimidin-4-yloxy)methyl)benzyl)-2,2,2-trifluoroacetamide
• 英文别名: N-[4-(2-amino-4-chloropyrimidin-6-yloxymethyl)-benzyl]-2,2,2-trifluoro-acetamide；N-[4-(2-Amino-4-chloropyrimidin-6-yloxymethyl)-benzyl]-2,2,2-trifluoro-acetamide；N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
• CAS: 913817-44-4
• 化学式: C₁₄H₁₂ClF₃N₄O₂
• 分子量: 360.723
• InChiKey: RMPKTHPYYXITGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  90.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-(4-((2-amino-6-chloropyrimidin-4-yloxy)methyl)benzyl)-2,2,2-trifluoroacetamide 在 甲胺 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 4-((4-(氨基甲基)苄基)氧基)-6-氯嘧啶-2-胺
  参考文献：
  名称：

  WO2006/114409

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氨基-4,6-二氯嘧啶 在 sodium hydride 、 水 作用下， 以 异丁酰胺 为溶剂， 以46%的产率得到N-(4-((2-amino-6-chloropyrimidin-4-yloxy)methyl)benzyl)-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  WO2006/114409

  摘要：

  公开号：

文献信息

• Pyrimidines reacting with O6-alkylguanine-DNA alkyltransferase fusion protein and method for detecting protein
  申请人：Covalys Biosciences AG

  公开号：US08178314B2

  公开（公告）日：2012-05-15

  The invention relates to pyrimidines suitable as substrates for O6-alkylguanine-DNA alkyltransferases (AGT) of formula (I) wherein R1 is hydrogen, lower alkyl, halogen, cyano, trifluoromethyl or azido; R2 is a linker; and L is a label or a plurality of same or different labels. The invention further relates to methods of transferring a label from pyrimidines of formula (I) to O6-alkylguanine-DNA alkyltransferases (AGT) and AGT fusion proteins.

  本发明涉及适用于O6-烷基鸟嘌呤-DNA烷基转移酶（AGT）的嘧啶衍生物，其化学式为（I），其中R1为氢、低碳基、卤素、氰基、三氟甲基或叠氮基；R2为连接基；L为标记或一组相同或不同的标记。本发明还涉及将化学式（I）的嘧啶衍生物从中转移标记到O6-烷基鸟嘌呤-DNA烷基转移酶（AGT）和AGT融合蛋白的方法。
• Pyrimidines reacting with O6-Alkylguanine-DNA alkyltransferase
  申请人：Kindermann Maik

  公开号：US20090186373A1

  公开（公告）日：2009-07-23

  The invention relates to pyrimidines suitable as substrates for O 6 -alkylguanine-DNA alkyltransferases (AGT) of formula (I) wherein R 1 is hydrogen, lower alkyl, halogen, cyano, trifluoromethyl or azido; R 2 is a linker; and L is a label or a plurality of same or different labels. The invention further relates to methods of transferring a label from pyrimidines of formula (I) to O 6 -alkylguanine-DNA alkyltransferases (AGT) and AGT fusion proteins.

  本发明涉及适用于O6-烷基鸟嘌呤-DNA烷基转移酶（AGT）的嘧啶底物的公式（I），其中R1为氢、低级烷基、卤素、氰基、三氟甲基或叠氮基；R2为连接剂；L为标记或同一或不同的多个标记。本发明还涉及将公式（I）的嘧啶从标记转移至O6-烷基鸟嘌呤-DNA烷基转移酶（AGT）和AGT融合蛋白的方法。
• Organelle-Targetable Fluorescent Probes for Imaging Hydrogen Peroxide in Living Cells via SNAP-Tag Protein Labeling
  作者：Duangkhae Srikun、Aaron E. Albers、Christine I. Nam、Anthony T. Iavarone、Christopher J. Chang

  DOI：10.1021/ja100117u

  日期：2010.3.31

  Hydrogen peroxide (H2O2) is a potent small-molecule oxidant that can exert a diverse array of physiological and/or pathological effects within living systems depending on the timing and location of its production, accumulation, trafficking, and consumption. To help study the chemistry and biology of this reactive oxygen species (ROS) in its native cellular context, we now present a new method for monitoring local, subcellular changes in H2O2 levels by fluorescence imaging. Specifically, we have exploited the versatility of the SNAP-tag technology for site-specific protein labeling with small molecules on the surface or interior of living cells with the use of boronate-capped dyes to selectively visualize H2O2. The resulting SNAP-Peroxy-Green (SNAP-PG) probes consist of appropriately derivatized boronates bioconjugated to SNAP-tag fusion proteins. Spectroscopic measurements of the SNAP-PG constructs confirm their ability to detect H2O2 with specificity over other biologically relevant ROS. Moreover, these hybrid small-molecule/protein reporters can be used in live mammalian cells expressing SNAP-tag fusion proteins directed to the plasma membrane, nucleus, mitochondria, and endoplasmic reticulum. Imaging experiments using scanning confocal microscopy establish organelle-specific localization of the SNAP-tag probes and their fluorescence turn-on in response to changes in local H2O2 levels. This work provides a general molecular imaging platform for assaying H2O2 chemistry in living cells with subcellular resolution.
• PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE
  申请人：Covalys Biosciences AG

  公开号：EP1874738A1

  公开（公告）日：2008-01-09
• US8178314B2
  申请人：——

  公开号：US8178314B2

  公开（公告）日：2012-05-15