1-[2-Methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine

• 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: 1-[2-Methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine
• 英文别名: 1-[2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine
• 化学式: C₁₈H₃₀N₂O
• 分子量: 290.4
• InChiKey: YPLSBDITDJOIGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  24.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Substituted pyrimidines for preventing or treating cancer and inflammatory diseases
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US10647686B2

  公开（公告）日：2020-05-12

  The present invention relates to compounds represented by Formula 1 or a pharmaceutically acceptable salt thereof, wherein: R1 is chloro or methyl; R2 is hydrogen or chloro; R3 is hydrogen, fluoro, chloro, bromo, methyl, ethyl, isopropyl, pentyl, hexyl, octyl, methoxy, phenoxy, (4-nitrophenyl)sulfonyl, piperidin-4-yl, or piperazin-1-yl; R4 is hydrogen, chloro, methyl or trifluoromethyl, phenoxy, (4-nitrophenyl)sulfonyl or piperidin-4-yl; or R3 and R4, together with the carbons to which they are attached, form a fused ring selected form the group consisting of: n is 1 or 2. These compounds according to the present invention remarkably inhibits activity of DRAK that inhibits signal systems of TGF-β, which is known to suppress cancer growth, and thus the novel pyrimidine compounds can be used as a pharmaceutical composition for preventing or treating cancer and can be used as a pharmaceutical composition for preventing or treating inflammatory disease.

  本发明涉及由式 1 表示的化合物 或其药学上可接受的盐、 其中 R1 是氯或甲基 R2 是氢或氯 R3 是氢、氟、氯、溴、甲基、乙基、异丙基、戊基、己基、辛基、甲氧基、苯氧基、（4-硝基苯基）磺酰基、哌啶-4-基或哌嗪-1-基； R4 是氢、氯、甲基或三氟甲基、苯氧基、（4-硝基苯基）磺酰基或哌啶-4-基；或 R3 和 R4，连同它们所连接的碳，形成一个融合环，该环可选自以下组成的组： n 为 1 或 2。 本发明的这些化合物可显著抑制抑制 TGF-β 信号系统的 DRAK 的活性，众所周知，TGF-β 可抑制癌症生长，因此新型嘧啶化合物可用作预防或治疗癌症的药物组合物，也可用作预防或治疗炎症性疾病的药物组合物。
• NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20190284143A1

  公开（公告）日：2019-09-19

  The present invention relates to novel pyrimidine compounds, a method for preparing the same, and a pharmaceutical composition containing the same as an active ingredient for preventing or treating cancer and inflammatory disease. The novel pyrimidine compounds according to the present invention remarkably inhibits activity of DRAK that inhibits signal systems of TGF-β, which is known to suppress cancer growth, and thus the novel pyrimidine compounds can be used as a pharmaceutical composition for preventing or treating cancer and can be used as a pharmaceutical composition for preventing or treating inflammatory disease.