2-(benzylthio)-3-methyl-6-nitrobenzo[d]thiazol-3-ium 4-methylbenzenesulfonate | 1134644-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(benzylthio)-3-methyl-6-nitrobenzo[d]thiazol-3-ium 4-methylbenzenesulfonate
• CAS: 1134644-12-4
• 化学式: C₇H₇O₃S*C₁₅H₁₃N₂O₂S₂
• 分子量: 488.609
• InChiKey: MBLUUEPPVJKVKK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  104.22
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-(benzylthio)-3-methyl-6-nitrobenzo[d]thiazol-3-ium 4-methylbenzenesulfonate 、 1-(2-Carboxyethyl)-4-methylquinolinium bromide 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以93%的产率得到C₇H₇O₃S^(1-)*C₂₁H₁₈N₃O₄S⁽¹⁺⁾
  参考文献：
  名称：

  Thiazole Orange derivatives: Synthesis, fluorescence properties, and labeling cancer cells

  摘要：

  A series of Thiazole Orange (TO) derivatives were synthesized and modified by introducing different substitutional groups on benzothiazole and 4-methylquinoline All the TO derivatives were confirmed by (HNMR)-H-1 and MS. TO derivative bearing NH2- was modified by folic acid and used to label breast cancer cells. The phenomenon of fluorescence enhancement was shown by the fluorescence spectrums of TO derivatives and micrographs of the labeled breast cancer cells. It offered a new try in the aspect of labeling cells by the embedded dyes. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.11.083
• 作为产物：
  描述：

  2-(benzylsulphanyl)-6-nitro-1,3-benzothiazole 、 对甲苯磺酸甲酯 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 76.0h， 以21%的产率得到2-(benzylthio)-3-methyl-6-nitrobenzo[d]thiazol-3-ium 4-methylbenzenesulfonate
  参考文献：
  名称：

  Thiazole Orange derivatives: Synthesis, fluorescence properties, and labeling cancer cells

  摘要：

  A series of Thiazole Orange (TO) derivatives were synthesized and modified by introducing different substitutional groups on benzothiazole and 4-methylquinoline All the TO derivatives were confirmed by (HNMR)-H-1 and MS. TO derivative bearing NH2- was modified by folic acid and used to label breast cancer cells. The phenomenon of fluorescence enhancement was shown by the fluorescence spectrums of TO derivatives and micrographs of the labeled breast cancer cells. It offered a new try in the aspect of labeling cells by the embedded dyes. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.11.083