4-pyridylsulfanyl phthalonitrile | 808118-81-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-pyridylsulfanyl phthalonitrile
• 英文别名: 4-(pyridin-4-ylsulfanyl)-phthalonitrile；4-pyridin-4-ylsulfanylbenzene-1,2-dicarbonitrile
• CAS: 808118-81-2
• 化学式: C₁₃H₇N₃S
• 分子量: 237.285
• InChiKey: SGMXFWSAOYUJDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-pyridylsulfanyl phthalonitrile 在 N,N-二甲基乙醇胺 、 zinc diacetate 作用下， 反应 15.0h， 以82%的产率得到ZnPcH12SPy4
  参考文献：
  名称：

  Phthalocyanine Thio-Pyridinium Derivatives as Antibacterial Photosensitizers†

  摘要：

  ABSTRACTThis study describes the synthesis of three new tetra‐ and octa‐thio‐pyridinium phthalocyanine derivatives. PSs 3a and 4a were prepared from the tetramerization of phthalonitriles 1 and 2, respectively, whereas PS 5 was prepared from the nucleophilic substitution of the 8 beta fluor atoms of hexadecafluorophthalocyaninatozinc(II) by mercaptopyridine, followed by cationization. The recombinant bioluminescent Escherichia coli strain was used to assess, in real time, the photoinactivation efficiency of these cationic phthalocyanines, under white and red light. The cellular localization and uptake were also determined to assess the potential of the new phthalocyanines as antibacterial agents. Derivative 3a was the most effective PS, causing a 5 logs reduction in bioluminescence after 30 min of irradiation under white or red lights. The photoinactivation efficiency of the phthalocyanine 4a was similar (5 logs reduction in bioluminescence) to that of 3a when irradiated with white light, but the efficiency of inactivation was reduced (2.1 logs reduction in bioluminescence) under red light. The tetra‐substituted phthalocyanine 3a also generates high amounts of singlet oxygen, does not aggregate in PBS and is highly fluorescent, which makes it an effective PS and a promising fluorescent labeling.

  DOI：

  10.1111/j.1751-1097.2012.01113.x
• 作为产物：
  描述：

  吡啶-4(1H)-硫酮 、 4-硝基邻苯二甲腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-pyridylsulfanyl phthalonitrile
  参考文献：
  名称：

  新型AS1411-铟(III)酞菁结合物对乳腺癌的靶向光动力治疗

  摘要：

  在该研究中，合成了在外围（ ）或非外围（ ）四位和外围八（ ）位上含有4-巯基吡啶基团作为取代基的新型铟（III）酞菁。然后，合成的酞菁通过取代基上氮原子的季铵化转化为其水溶性衍生物。这些新型酞菁已通过各种光谱方法进行了表征，例如 FT-IR、1HNMR、元素分析、UV-vis、MALDI-TOF 质谱。还研究了合成的酞菁的光化学性质。在这项研究中; 在DMSO和水溶液中研究了季铵化衍生物，而仅在DMSO中研究了非季铵化衍生物。采用光谱方法和电化学阻抗谱技术结合铅笔石墨电极（PGE）研究了AS1411与三种酞菁（、和）之间的相互作用。在存在和不存在 Dox 的情况下，在 MCF-7 和阿霉素 (Dox) 耐药性 MCF-7/DOX-R 细胞系中研究了 AS1411 和每种​​酞菁的细胞毒性活性。在 MCF-7、MCF-7/DOX-R 和 MCF-10A 细胞上研究了 、 和 及其 AS1411

  DOI：

  10.1016/j.molstruc.2024.137718

文献信息

• Novel nitrogen-containing heteroaryl compounds and methods of use thereof
  申请人：FibroGen, Inc.

  公开号：US20040254215A1

  公开（公告）日：2004-12-16

  The present invention relates to compounds suitable for use in mediating hypoxia inducible factor and for treating erythropoietin-associated conditions by increasing endogenous erythropoietin in vitro and in vivo.

  本发明涉及适用于介导缺氧诱导因子和治疗与促红细胞生成素相关疾病的化合物，通过在体外和体内增加内源性促红细胞生成素来实现。
• [EN] NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN<br/>[FR] COMPOSES HETEROARYLIQUES CONTENANT DE L'AZOTE ET LEUR UTILISATION DANS L'AUGMENTATION DE L'ERYTHROPOIETINE ENDOGENE
  申请人：FIBROGEN INC

  公开号：WO2004108681A1

  公开（公告）日：2004-12-16

  The present invention relates to compounds suitable for use in mediating hypoxia inducible factor and for treating erythropoietin-associated conditions by increasing endogenous erythropoietin in vitro and in vivo.

  本发明涉及一种适用于介导缺氧诱导因子和治疗与促红细胞生成素相关疾病的化合物，通过在体外和体内增加内源性促红细胞生成素。
• Nitrogen-containing heteroaryl compounds and methods of use thereof
  申请人：Fibrogen, Inc.

  公开号：US07323475B2

  公开（公告）日：2008-01-29

  The present invention relates to compounds suitable for use in mediating hypoxia inducible factor and for treating erythropoietin-associated conditions by increasing endogenous erythropoietin in vitro and in vivo.

  本发明涉及适用于介导缺氧诱导因子和治疗与促红细胞生成素相关的疾病的化合物，通过在体内外增加内源性促红细胞生成素。
• NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Arend Michael P.

  公开号：US20080293763A1

  公开（公告）日：2008-11-27

  The present invention relates to compounds suitable for use in mediating hypoxia inducible factor and for treating erythropoietin-associated conditions by increasing endogenous erythropoietin in vitro and in vivo.

  本发明涉及适用于介导缺氧诱导因子并通过在体内外增加内源性促红细胞生成素来治疗与促红细胞生成素相关的疾病的化合物。
• Novel Nitrogen-Containing Heteroaryl Compounds And Methods of Use Thereof
  申请人：AREND P. Michael

  公开号：US20070185159A1

  公开（公告）日：2007-08-09

  The present invention relates to compounds suitable for use in mediating hypoxia inducible factor and for treating erythropoietin-associated conditions by increasing endogenous erythropoietin in vitro and in vivo.

  本发明涉及适合用于介导缺氧诱导因子和治疗与促红细胞生成素相关疾病的化合物，通过在体外和体内增加内源性促红细胞生成素。