N-phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine | 368-61-6

• 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: N-phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
• 英文别名: N²-phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diyldiamine；N²-Phenyl-6-trifluormethyl-[1,3,5]triazin-2,4-diyldiamin；4-Amino-6-anilino-2-trifluormethyl-1,3,5-triazin；N-Phenyl-trifluoracetoguanamin；N-Phenyltrifluoracetoguanamin；N-Phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine；2-N-phenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
• CAS: 368-61-6
• 化学式: C₁₀H₈F₃N₅
• mdl: MFCD00445828
• 分子量: 255.202
• InChiKey: AEQDCEOQPMWHKU-UHFFFAOYSA-N

物化性质

• 熔点：
  182-183 °C(Solv: water (7732-18-5); methanol (67-56-1))
• 沸点：
  390.0±52.0 °C(Predicted)
• 密度：
  1.492±0.06 g/cm3(Predicted)
• 溶解度：
  >38.3 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine 、 五氯化磷 生成 N-phenyl-4-[(trichloro-λ5-phosphanylidene)amino]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  HAYMOBA, I. I.;DOKINA, O. B.;SEMCHENKO, F. M., TR. MOSK. XIM.-TEXNOL. IN-TA,(1987) N 149, S. 55-61

  摘要：

  DOI：
• 作为产物：
  描述：

  三氟乙酸甲酯 、 1-苯基双胍 生成 N-phenyl-6-trifluoromethyl-[1,3,5]triazine-2,4-diamine
  参考文献：
  名称：

  Preparation of Triazines by the Reaction of Biguanide and Esters¹

  摘要：

  DOI：

  10.1021/ja01561a044

文献信息

• Notes: The Preparation of Certain Amino-Substituted Perfluoroalkyl-s-triazines
  作者：John Shaw、Frank Gross

  DOI：10.1021/jo01093a619

  日期：1959.11
• DOKINA O. B.; NAUMOVA I. I.; STREPIXEEV YU. A.; VIRIN L. I.; POPOVA I. YU+, ZH. BCEC. XIM. O-BA, 32,(1987) N 1, 115-117
  作者：DOKINA O. B.、 NAUMOVA I. I.、 STREPIXEEV YU. A.、 VIRIN L. I.、 POPOVA I. YU+

  DOI：——

  日期：——
• 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.