4-benzylsulfanylmethyl-6-morpholin-4-yl-[1,3,5]triazin-2-ylamine | 22362-15-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 4-benzylsulfanylmethyl-6-morpholin-4-yl-[1,3,5]triazin-2-ylamine
• 英文别名: 4-Amino-6-morpholino-2-benzylmercaptomethyl-1,3,5-triazin；4-(benzylsulfanylmethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
• CAS: 22362-15-8
• 化学式: C₁₅H₁₉N₅OS
• 分子量: 317.415
• InChiKey: HVBCGALXCDNBPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-(氯甲基)-6-吗啉-4-基-1,3,5-噻嗪-2-胺 、 sodium benzylmercaptide 以 乙醇 为溶剂， 生成 4-benzylsulfanylmethyl-6-morpholin-4-yl-[1,3,5]triazin-2-ylamine
  参考文献：
  名称：

  Studies on Antitumor Substances. VIII. Syntheses of 4-Amino-6-substituted Amino-2-substituted sym-Triazine Derivatives

  摘要：

  为了合成多种4-氨基-6-取代氨基-2-取代对称三嗪，1-取代双脲与氯乙酸乙酯反应，生成4-氨基-6-取代氨基-2-氯甲基对称三嗪，从中衍生出目标化合物。4-氨基-6-取代氨基-2-氯甲基对称三嗪与胺及烷基硫醇的反应成功进行，分别生成4-氨基-6-取代氨基-2-取代氨基甲基对称三嗪和4-氨基-6-取代氨基-2-烷基硫甲基对称三嗪。然而，在与烷基硫酸钠的反应中，发现形成了相应的磺酮，这是由于部分脱硫在中间生成的4-氨基-6-取代氨基-2-甲氧基硫代磺酸基对称三嗪中发生的。这种磺酮被确认与通过氧化相应的硫化物获得的磺酮相同。4-氨基-6-哌啶基-2-氯甲基对称三嗪与硫脲的反应形成了相应的二硫化物，而不是预期的硫醇化合物。

  DOI：

  10.1248/cpb.17.329

文献信息

• Microrna modulators and method for identifying and using the same
  申请人：Huang Qihong

  公开号：US20100196357A1

  公开（公告）日：2010-08-05

  The present invention is a method for identifying agents which modulate microRNA activity. The invention involves contacting a cell harboring a microRNA and a microRNA binding sequence, which is operably linked to a nucleic acid molecule encoding a reporter protein, with a test agent and determining whether the test agent increases or decreases the expression of the reporter protein thereby identifying a microRNA modulator. Antagonists identified by this screening assay are provided, as are methods for using the same to inhibit microRNA activity and prevent or treat disease.
• MicroRNA Modulators and Method for Identifying And Using The Same
  申请人：Huang Qihong

  公开号：US20120010177A1

  公开（公告）日：2012-01-12

  The present invention is a method for identifying agents which modulate microRNA activity. The invention involves contacting a cell harboring a microRNA and a microRNA binding sequence, which is operably linked to a nucleic acid molecule encoding a reporter protein, with a test agent and determining whether the test agent increases or decreases the expression of the reporter protein thereby identifying a microRNA modulator. Antagonists identified by this screening assay are provided, as are methods for using the same to inhibit microRNA activity and prevent or treat disease.
• MicroRNA Modulators and Method for Identifying and Using the Same
  申请人：Huang Qihong

  公开号：US20130023498A1

  公开（公告）日：2013-01-24

  The present invention is a method for identifying agents which modulate microRNA activity. The invention involves contacting a cell harboring a microRNA and a microRNA binding sequence, which is operably linked to a nucleic acid molecule encoding a reporter protein, with a test agent and determining whether the test agent increases or decreases the expression of the reporter protein thereby identifying a microRNA modulator. Antagonists identified by this screening assay are provided, as are methods for using the same to inhibit microRNA activity and prevent or treat disease.
• US20140255386A1
  申请人：——

  公开号：US20140255386A1

  公开（公告）日：2014-09-11
• [EN] MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME<br/>[FR] MODULATEURS DE MICROARN ET MÉTHODE D'IDENTIFICATION ET D'UTILISATION ASSOCIÉE
  申请人：WISTAR INST

  公开号：WO2013019469A1

  公开（公告）日：2013-02-07

  The present invention is a method for identifying agents which modulate microRNA activity. The invention involves contacting a cell harboring a microRNA and a microRNA binding sequence, which is operably linked to a nucleic acid molecule encoding a reporter protein, with a test agent and determining whether the test agent increases or decreases the expression of the reporter protein thereby identifying a microRNA modulator. Antagonists identified by this screening assay are provided, as are methods for using the same to inhibit microRNA activity and prevent or treat disease.

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