7-(dimethylamino)-1-methyl-3H-phenoxazine-3-one | 17704-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 7-(dimethylamino)-1-methyl-3H-phenoxazine-3-one
• 英文别名: 7-dimethylamino-1-methyl-3H-phenoxazin-3-one；7-dimethylamino-1-methyl-phenoxazin-3-one；1-Methyl-7-dimethylamino-phenoxazon-(3)；7-Dimethylamino-1-methyl-phenoxazon-(3)；1-Methyl-7-amino-phenoxazon-(3)；3H-Phenoxazin-3-one, 7-(dimethylamino)-1-methyl-；7-(dimethylamino)-1-methylphenoxazin-3-one
• CAS: 17704-27-7
• 化学式: C₁₅H₁₄N₂O₂
• 分子量: 254.288
• InChiKey: ZRHNNMZRNKBRSI-UHFFFAOYSA-N

物化性质

• 沸点：
  416.0±45.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,5-二羟基甲苯 、 N,N-二甲基-4-亚硝基苯铵氯化物 以 甲醇 为溶剂， 反应 12.0h， 以46%的产率得到7-(dimethylamino)-1-methyl-3H-phenoxazine-3-one
  参考文献：
  名称：

  没食子花青染料的合成和评价作为潜在药物治疗阿尔茨海默氏病和相关的神经退行性疾病

  摘要：

  为了寻找安全有效的抗阿尔茨海默氏病病原体，已合成了一系列没食子花青染料，并对其抑制LRP / DKK1相互作用的能力进行了评估。LRP S和DKK1之间的相互作用的调节，调节Wnt信号通路并影响Tau磷酸化。当前的努力导致鉴定出有效的DKK1抑制剂，该抑制剂能够抑制前列腺素J2诱导的丝氨酸396的tau磷酸化。

  DOI：

  10.1016/j.ejmech.2015.11.024

文献信息

• Coupling Selectivity with Sensitivity in an Integrated Chemosensor Framework:  Design of a Hg²⁺-Responsive Probe, Operating above 500 nm
  作者：Ana B. Descalzo、Ramón Martínez-Máñez、Reiner Radeglia、Knut Rurack、Juan Soto

  DOI：10.1021/ja0290779

  日期：2003.3.1

  For the highly selective and sensitive sensing of Hg2+ in water, a new design concept was realized where the selectivity of the probe's binding site is amplified by electronic properties of the chromophore. The molecular architecture of this phenoxazinone-type sensor molecule combines two potential coordination sites via an amino-keto conjugative backbone. These structural prerequisites allow only the most preferred mercuric ion to bind to the dithia dioxa monoaza crown unit, while other heavy, transition, and main group metal ions as well as protons are trapped at the keto group, inducing opposite spectral effects due to interaction with either the donor (Hg2+) or the acceptor group (other cations) of the probe. Besides these advantageous features, the probe operates well within the visible range of the spectrum and displays rather intense molar absorptivities as well as fluorescence quantum yields.
• Synthesis and evaluation of gallocyanine dyes as potential agents for the treatment of Alzheimer's disease and related neurodegenerative tauopathies
  作者：Spyros Mpousis、Savvas Thysiadis、Nicolaos Avramidis、Sotirios Katsamakas、Spiros Efthimiopoulos、Vasiliki Sarli

  DOI：10.1016/j.ejmech.2015.11.024

  日期：2016.1

  In search of safe and effective anti-Alzheimer disease agents a series of gallocyanine dyes have been synthesized and evaluated for their ability to inhibit LRPs/DKK1 interactions. Modulation of the interactions between LRPS and DKK1, regulate Wnt signaling pathway and affect Tau phosphorylation. The current efforts resulted in the identification of potent DKK1 inhibitors which are able to inhibit

  为了寻找安全有效的抗阿尔茨海默氏病病原体，已合成了一系列没食子花青染料，并对其抑制LRP / DKK1相互作用的能力进行了评估。LRP S和DKK1之间的相互作用的调节，调节Wnt信号通路并影响Tau磷酸化。当前的努力导致鉴定出有效的DKK1抑制剂，该抑制剂能够抑制前列腺素J2诱导的丝氨酸396的tau磷酸化。