2-(2-difluoromethyl-4-hydroxybenzimidazol-1-yl)-4-(2-hydroxymetylpyrrolidin-1-yl)-6-morpholino-1,3,5-triazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(2-difluoromethyl-4-hydroxybenzimidazol-1-yl)-4-(2-hydroxymetylpyrrolidin-1-yl)-6-morpholino-1,3,5-triazine
• 英文别名: 2-(2-difluoromethyl-4-hydroxybenzimidazol-1-yl)-4-(2-hydroxymethylpyrrolidin-1-yl)-6-morpholino-1,3,5-triazine；2-(Difluoromethyl)-1-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzimidazol-4-ol
• 化学式: C₂₀H₂₃F₂N₇O₃
• 分子量: 447.445
• InChiKey: XLEIEOBSODBREI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• Treatment of prostate cancer, melanoma or hepatic cancer
  申请人：Yaguchi Shinichi

  公开号：US20070244110A1

  公开（公告）日：2007-10-18

  The present application describes a method of treating prostate cancer, melanoma or hepatic cancer in a subject in need thereof, the method comprising administering to said subject a therapeutically effective amount of the heterocyclic compound represented by Formula I or its pharmaceutically acceptable salt:

  本申请描述了一种治疗前列腺癌、黑色素瘤或肝癌的方法，该方法包括向需要治疗的受试者施用公式I所表示的杂环化合物或其药学上可接受的盐的治疗有效量。
• Heterocyclic compounds and antitumor drugs containing the same as the active ingredient
  申请人：Kawashima Seiichiro

  公开号：US20060009440A1

  公开（公告）日：2006-01-12

  The present invention relates to heterocyclic compounds represented by the formula I wherein X represents nitrogen atom or CH; R 1 represents halogen atom or hydroxyl; R 2 represents hydrogen atom, hydroxyl or amino; R 3 represents morpholino (which may be substituted with one or two C 1 -C 6 alkyl), pyrrolidinyl (which may be substituted with hydroxy C 1 -C 6 alkyl) or NR 6 R 7 [R 6 represents C 1 -C 6 alkyl and R 7 represents piperidinyl (which may be substituted with C 1 -C 6 alkyl)]; R 4 and R 5 each represents hydrogen atom or C 1 -C 6 alkyl, with the proviso that R 2 is hydrogen atom and R 3 is pyrrolidinyl (which may be substituted with hydroxy C 1 -C 6 alkyl) when R 1 is hydroxyl

  本发明涉及由式I表示的杂环化合物，其中X表示氮原子或CH; R1表示卤素原子或羟基; R2表示氢原子，羟基或氨基; R3表示吗啡基（可以用一个或两个C1-C6烷基取代），吡咯烷基（可以用羟基C1-C6烷基取代）或NR6R7[R6表示C1-C6烷基，R7表示哌啶基（可以用C1-C6烷基取代）]; R4和R5各自表示氢原子或C1-C6烷基，但要求R2是氢原子，当R1是羟基时，R3是吡咯烷基（可以用羟基C1-C6烷基取代）。
• IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT
  申请人：Haruta Kazuhiko

  公开号：US20080113987A1

  公开（公告）日：2008-05-15

  A novel method for immunosuppressive in a mammal suffering from an immune disease, including administering to the mammal a therapeutically effective amount of a heterocyclic compound represented by the general formula (I) (wherein X or other variables are as defined in the specification) or a pharmaceutically acceptable salt thereof is disclosed. A novel heterocyclic compound represented by the general formula (II) (wherein X or other variables are as defined in the specification) or a pharmaceutically acceptable salt thereof is also disclosed.

  本发明涉及一种治疗免疫性疾病的哺乳动物的免疫抑制新方法，包括向哺乳动物施用一种由通式（I）表示的杂环化合物的治疗有效量或其药学上可接受的盐。其中X或其他变量的定义见说明书。本发明还涉及一种由通式（II）表示的新型杂环化合物或其药学上可接受的盐。
• HETEROCYCLIC COMPOUNDS AND ANTITUMOR DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：ZENYAKU KOGYO KABUSHIKI KAISHA

  公开号：EP1557415A1

  公开（公告）日：2005-07-27

  The present invention relates to heterocyclic compounds represented by the formula I wherein X represents nitrogen atom or CH; R1 represents halogen atom or hydroxyl; R2 represents hydrogen atom, hydroxyl or amino; R3 represents morpholino (which may be substituted with one or two C1-C6 alkyl), pyrrolidinyl (which may be substituted with hydroxy C1-C6 alkyl) or NR6R7 [R6 represents C1-C6 alkyl and R7 represents piperidinyl (which may be substituted with C1-C6 alkyl)]; R4 and R5 each represents hydrogen atom or C1-C6 alkyl, with the proviso that R2 is hydrogen atom and R3 is pyrrolidinyl (which may be substituted with hydroxy C1-C6 alkyl) when R1 is hydroxyl

  本发明涉及式 I 所代表的杂环化合物 其中X代表氮原子或CH；R1代表卤原子或羟基；R2代表氢原子、羟基或氨基；R3代表吗啉基（可被一个或两个C1-C6烷基取代）、吡咯烷基（可被羟基C1-C6烷基取代）或NR6R7[R6代表C1-C6烷基，R7代表哌啶基（可被C1-C6烷基取代）]；R4 和 R5 各自代表氢原子或 C1-C6 烷基，但 R1 为羟基时，R2 为氢原子，R3 为吡咯烷基（可被羟基 C1-C6 烷基取代）。
• IMMUNOSUPPRESSIVE AGENT COMPRISING A HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT
  申请人：ZENYAKU KOGYO KABUSHIKIKAISHA

  公开号：EP1864665B1

  公开（公告）日：2012-05-16