N'-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-YL)-N-[2-(trifluoromethyl)phenyl]guanidine | 932170-30-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N'-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-YL)-N-[2-(trifluoromethyl)phenyl]guanidine
• 英文别名: 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
• CAS: 932170-30-4
• 化学式: C₁₃H₁₂F₃N₅O
• mdl: MFCD09437677
• 分子量: 311.266
• InChiKey: PDFOAAMZYZAWIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  91.9
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N'-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-YL)-N-[2-(trifluoromethyl)phenyl]guanidine 在 potassium carbonate 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 生成 N-(4-Methyl-6-phenethylamino-pyrimidin-2-yl)-N'-(2-trifluoromethyl-phenyl)-guanidine
  参考文献：
  名称：

  Synthesis and structure activity relationship of guanidines as NPY Y5 antagonists

  摘要：

  A series of bis-aryl substituted guanidines have been discovered as potent NPY Y5 antagonists. The SAR and in vitro metabolic stability of these compounds are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.03.012
• 作为产物：
  描述：

  邻氨基三氟甲苯 、 2-氰基氨基-4-羟基-6-甲基嘧啶 以 乙二醇乙醚 为溶剂， 生成 N'-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-YL)-N-[2-(trifluoromethyl)phenyl]guanidine
  参考文献：
  名称：

  Synthesis and structure activity relationship of guanidines as NPY Y5 antagonists

  摘要：

  A series of bis-aryl substituted guanidines have been discovered as potent NPY Y5 antagonists. The SAR and in vitro metabolic stability of these compounds are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.03.012

文献信息

• [EN] PHENYL-GUANIDINE DERIVATIVES<br/>[FR] DÉRIVÉS PHÉNYL-GUANIDINES
  申请人：UNIV NAC QUILMES

  公开号：WO2013053726A1

  公开（公告）日：2013-04-18

  Provided herein are phenyl-guanidine derivatives for the inhibition of Rac1 which blocks its interaction with guanosine exchange factors (GEFs) belonging to the DBL family as agents for the treatment of aggressive and/or resistant tumours, as well as pharmaceutical compositions comprising them, their use in therapy and processes for their preparation.

  本文提供了苯基胍衍生物，用于抑制Rac1，从而阻断其与属于DBL家族的鸟苷交换因子（GEFs）的相互作用，作为治疗侵袭性和/或耐药肿瘤的药物，以及包含它们的药物组合物，它们在治疗中的应用以及它们的制备过程。
• PHENYL-GUANIDINE DERIVATIVES
  申请人：Universidad Nacional de Quilmes

  公开号：EP2766342A1

  公开（公告）日：2014-08-20
• Phenyl-Guanidine Derivatives
  申请人：Chemo Research, S.L

  公开号：US20140228388A1

  公开（公告）日：2014-08-14

  Provided herein are phenyl-guanidine derivatives for the inhibition of Rac1 which blocks its interaction with guanosine exchange factors (GEFs) belonging to the DBL family as agents for the treatment of aggressive and/or resistant tumours, as well as pharmaceutical compositions comprising them, their use in therapy and processes for their preparation.
• US9745257B2
  申请人：——

  公开号：US9745257B2

  公开（公告）日：2017-08-29