3,3'-二丁基噻碳菁碘化物 | 53213-85-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 3,3'-二丁基噻碳菁碘化物
• 中文别名: 3,3`-二丁基硫杂二羰花青碘化物
• 英文名称: 3,3'-dibutylthiacarbocyanine iodide
• 英文别名: DiSC4(3)；1,3-bis-(3-butyl-benzothiazol-2-yl)-trimethinium ; iodide；1,3-Bis-(3-butyl-benzothiazol-2-yl)-trimethinium; Jodid；3-butyl-2-[3-(3-butyl-(3H)-benzothiazol-2-ylidene)propen-1-yl]benzothiazolium iodide；(2Z)-3-butyl-2-[3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide
• CAS: 53213-85-7
• 化学式: C₂₅H₂₉N₂S₂*I
• 分子量: 548.555
• InChiKey: IBLJGRBTLKWIGM-UHFFFAOYSA-M

物化性质

• 溶解度：
  可溶于DMSO

计算性质

• 辛醇/水分配系数(LogP)：
  4.26
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  60.7
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 安全说明：
  S22,S24/25,S36
• 危险类别码：
  R36/37/38
• 危险标志：
  GHS07
• 危险性描述：
  H315,H319,H335
• 危险性防范说明：
  P261,P305 + P351 + P338

反应信息

• 作为反应物：
  描述：

  3,3'-二丁基噻碳菁碘化物 300.0 ℃ 、98.06 kPa 条件下， 以1%的产率得到苯并噻唑
  参考文献：
  名称：

  Investigation of the pathways of thermal fragmentation of thiacarbocyanine dyes

  摘要：

  DOI：

  10.1007/bf00506990
• 作为产物：
  描述：

  2-甲基苯并噻唑 在 乙酸酐 作用下， 以 乙腈 为溶剂， 反应 0.25h， 生成 3,3'-二丁基噻碳菁碘化物
  参考文献：
  名称：

  花青素化合物作为蛋白精氨酸甲基转移酶的选择性抑制剂的探索：合成与生物学评价。

  摘要：

  精氨酸甲基转移酶1（PRMT1）参与许多生物学活动，例如基因转录，信号转导和RNA处理。PRMT1的过度表达与心血管疾病，肾脏疾病和癌症有关；因此，选择性PRMT1抑制剂可作为化学探针来研究PRMT​​1的生物学功能和用于疾病治疗的候选药物。我们以前的工作发现了有效抑制PRMT1活性的三甲胺花青化合物。在我们目前的研究中，我们系统地研究了花菁结构的结构-活性关系。五甲胺化合物E-84（化合物50）在微摩尔水平上对PRMT1表现出抑制作用，其选择性是CARM1，PRMT5和PRMT8的6至25倍。细胞活性表明该化合物50渗入细胞膜，抑制细胞PRMT1活性，并阻止白血病细胞增殖。此外，我们的分子对接研究表明，化合物50可能通过占据辅因子结合位点发挥作用，这为指导进一步优化该先导化合物提供了路线图。

  DOI：

  10.1021/jm501452j

文献信息

• RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY
  申请人：Riken

  公开号：EP3686632A1

  公开（公告）日：2020-07-29

  There is provided a radiation dosimetry sol or gel, and a radiation dosimeter containing the sol or the gel as a material for radiation dosimetry. A radiation dosimetry sol or gel characterized by comprising a compound (A) having an excitation light-induced fluorescence property that is changed by a radiolysis product of water; and a silicate salt (B). A radiation dosimetry sol or gel characterized by comprising a compound (A) having an excitation light-induced fluorescence property that is changed by a radiolysis product of water; a silicate salt (B); a water-soluble organic polymer (C) having an organic acid salt structure or an organic acid anion structure; and a dispersant (D) for the silicate salt (B). A radiation dosimeter comprising, as a material for radiation dosimetry, the above-mentioned radiation dosimetry sol or gel.

  提供了一种辐射剂量测定溶胶或凝胶，以及一种含有该溶胶或凝胶作为辐射剂量测定材料的辐射剂量计。 一种辐射剂量测定溶胶或凝胶，其特征在于包含一种化合物 (A)，该化合物具有由水的辐射分解产物改变的激发光诱导荧光特性；以及一种硅酸盐 (B)。 一种辐射剂量计溶胶或凝胶，其特征在于包含一种化合物（A），该化合物具有受水的辐射分解产物影响而改变的激发光诱导荧光特性；一种硅酸盐（B）；一种具有有机酸盐结构或有机酸阴离子结构的水溶性有机聚合物（C）；以及一种用于硅酸盐（B）的分散剂（D）。 一种辐射剂量计，包括作为辐射剂量测定材料的上述辐射剂量测定溶胶或凝胶。
• Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry
  申请人：RIKEN

  公开号：US11150358B2

  公开（公告）日：2021-10-19

  A radiation dosimetry sol or gel, and a radiation dosimeter containing the sol or the gel as a material for radiation dosimetry. A radiation dosimetry sol or gel including a compound (A) having an excitation light-induced fluorescence property that is changed by a radiolysis product of water; and a silicate salt (B). A radiation dosimetry sol or gel including a compound (A) having an excitation light-induced fluorescence property that is changed by a radiolysis product of water; a silicate salt (B); a water-soluble organic polymer (C) having an organic acid salt structure or an organic acid anion structure; and a dispersant (D) for the silicate salt (B). A radiation dosimeter including, as a material for radiation dosimetry, the above-mentioned radiation dosimetry sol or gel.

  一种辐射剂量测定溶胶或凝胶，以及一种含有该溶胶或凝胶作为辐射剂量测定材料的辐射剂量计。一种辐射剂量测定溶胶或凝胶，包括一种化合物 (A)，其激发光诱导荧光特性会因水的辐射分解产物而改变；以及一种硅酸盐 (B)。一种辐射剂量测定溶胶或凝胶，包括一种化合物（A），其激发光诱导荧光特性会因水的辐射分解产物而改变；一种硅酸盐（B）；一种水溶性有机聚合物（C），其具有有机酸盐结构或有机酸阴离子结构；以及一种用于硅酸盐（B）的分散剂（D）。一种辐射剂量计，包括作为辐射剂量测定材料的上述辐射剂量测定溶胶或凝胶。
• Methods and compositions for detecting polynucleotides
  申请人：Bupp Robert Charles

  公开号：US20070231821A1

  公开（公告）日：2007-10-04

  Methods of determining the presence or amount of a target polynucleotide in a sample are provided. A sample that contains a target polynucleotide, a polynucleotide that may include nucleic acid analogs and that is complementary to a target nucleic acid sequence of the target polynucleotide, and a dye for which the rate of change in an optical property is different in the presence and absence of a target polynucleotide/polynucleotide hybrid are combined to produce a reaction mixture. The rate of change in an optical property of the dye in the reaction mixture is compared to a reference value characteristic of the rate of change in the optical property of the dye in a similar reaction mixture containing a known amount of a polynucleotide/polynucleotide hybrid to determine a relative rate of change in the optical property. The relative rate of change in the optical property of dye in the reaction mixture is correlated with the presence or amount of the specified target polynucleotide in the sample.
• METHODS AND COMPOSITIONS FOR RAPID LIGHT-ACTIVATED ISOLATION AND DETECTION OF ANALYTES
  申请人：Holmes-Davis Rachel Anne

  公开号：US20080220436A1

  公开（公告）日：2008-09-11

  The present invention relates to novel methods for isolating a target molecule from a sample suspected of containing the target molecule. The methods of the present invention utilize solid substrates as a means for capturing, separating, and releasing target molecules, such as chemical or biological compounds. The present invention is specifically directed to novel approaches for capturing, separating and releasing such target molecules.
• ASSAYS BASED ON DETECTION OF PHOTOBLEACHING REACTION PRODUCTS FROM DYE CATALYTIC COMPLEX
  申请人：Wang Miaomiao

  公开号：US20100209909A1

  公开（公告）日：2010-08-19

  The present invention relates to the methods for assaying an analyte comprising a nucleic acid analog binding substrate in a sample, comprising reacting a catalytic complex comprising a nucleic acid analog, a nucleic acid analog specific binding substrate and a light reactive dye with a light stimulus, and detecting the presence or absence or amount of a reaction product of the catalytic complex and light stimulus. The present invention also relates to a method of assaying a nucleic acid analyte in a sample using an analyte-specific reporter complex. The present invention also relates to a method of assaying an analyte in a sample using a reporter molecule.