6-Amino-4-chloro-2-difluoromethylbenzimidazole | 685111-13-1

• 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: 6-Amino-4-chloro-2-difluoromethylbenzimidazole
• 英文别名: 7-chloro-2-(difluoromethyl)-3H-benzimidazol-5-amine
• CAS: 685111-13-1
• 化学式: C₈H₆ClF₂N₃
• 分子量: 217.606
• InChiKey: XFTSZVHSPOQROU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Amino-4-chloro-2-difluoromethylbenzimidazole 、 2,4-二氯-6-吗啉基-1,3,5-三嗪 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 5.0h， 以28%的产率得到2-(6-amino-4-chloro-2-difluoromethylbenzimidazol-1-yl)-4-chloro-6-morpholino-1,3,5-triazine
  参考文献：
  名称：

  Treatment of prostate cancer, melanoma or hepatic cancer

  摘要：

  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。

  公开号：

  US20070244110A1

文献信息

• 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。
• Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient
  申请人：Zenyaku Kogyo Kabushikikaisha

  公开号：US07750001B2

  公开（公告）日：2010-07-06

  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.

  本文披露了一种在患有免疫疾病的哺乳动物中实现免疫抑制的新方法，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（其中X或其他变量如规范中所定义），或其药物可接受的盐。此外，本文还披露了一种由通式（II）表示的新型杂环化合物（其中X或其他变量如规范中所定义），或其药物可接受的盐。
• 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
• HETEROCYCLIC COMPOUNDS AND ANTITUMOR DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：ZENYAKU KOGYO KABUSHIKIKAISHA

  公开号：EP1557415B1

  公开（公告）日：2012-06-06