2-(2-acetylaminobenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine | 475110-99-7

• 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-acetylaminobenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine
• 英文别名: N-[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-2-yl]acetamide
• CAS: 475110-99-7
• 化学式: C₂₀H₂₄N₈O₃
• 分子量: 424.462
• InChiKey: RDFGQFRUBKTUJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-(2-aminobenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine 、 溶剂黄146 、 N,N'-二环己基碳二亚胺 以 氯仿 为溶剂， 反应 4.0h， 以73%的产率得到2-(2-acetylaminobenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT

  摘要：

  公开号：

  EP1389617B1

文献信息

• Heterocyclic compound and antitumor agent containing the same as effective ingredient
  申请人：Kawashima Seiichiro

  公开号：US20060247232A1

  公开（公告）日：2006-11-02

  The present invention relates to heterocyclic compounds represented by the formula I or pharmaceutically acceptable salts thereof and antitumor agents containing the heterocyclic compounds as effective components: wherein X represents nitrogen atom or CH; R 1 represents CH n F 3-n (wherein n is 1 or 2), hydroxy C 1 -C 6 alkyl, NHR 6 [wherein R 6 represents hydrogen atom or COR (wherein R represents hydrogen atom, C 1 -C 6 alkyl or C 1 -C 6 alkoxy)]; R 2 represents morpholino (which may be substituted with one to four C 1 -C 6 alkyl), thiomorpholino, piperidino, pyrrolidinyl (which may be substituted with hydroxy C 1 -C 6 alkyl), oxazolidinyl (which may be substituted with one or two C 1 -C 6 alkyl) or tetrahydro-1,4-thiazin-1-oxo-4-yl; R 3 and R 4 each represent hydrogen atom or C 1 -C 6 alkyl; and R 5 represents hydrogen atom, amino or hydroxyl.

  本发明涉及由式I表示的杂环化合物或其药学上可接受的盐，以及含有该杂环化合物作为有效成分的抗肿瘤剂： 其中X代表氮原子或CH；R1代表CHnF3-n（其中n为1或2），羟基C1-C6烷基，NHR6（其中R6代表氢原子或COR（其中R代表氢原子，C1-C6烷基或C1-C6烷氧基））；R2代表吗啡环（可以被取代为一到四个C1-C6烷基），硫代吗啡环，哌啶环，吡咯烷基（可以被羟基C1-C6烷基取代），噁唑烷基（可以被一到两个C1-C6烷基取代）或四氢-1,4-噻唑-1-氧-4-基；R3和R4各自代表氢原子或C1-C6烷基；R5代表氢原子，氨基或羟基。
• Heterocyclic compound and antitumor agent containing the same as active ingredient
  申请人：——

  公开号：US20040116421A1

  公开（公告）日：2004-06-17

  The present invention relates to heterocyclic compounds represented by the formula I or pharmaceutically acceptable salts thereof and antitumor agents containing the heterocyclic compounds as effective components: 1 wherein X represents nitrogen atom or CH; R 1 represents CH n F 3-n (wherein n is 1 or 2), hydroxy C 1 -C 6 alkyl, NHR 6 [wherein R 6 represents hydrogen atom or COR (wherein R represents hydrogen atom, C 1 -C 6 alkyl or C 1 -C 6 alkoxy)]; R 2 represents morpholino (which may be substituted with one to four C 1 -C 6 alkyl), thiomorpholino, piperidino, pyrrolidinyl (which may be substituted with hydroxy C 1 -C 6 alkyl), oxazolidinyl (which may be substituted with one or two C 1 -C 6 alkyl) or tetrahydro-1,4-thiazin- 1 -oxo-4-yl; R 3 and R 4 each represent hydrogen atom or C 1 -C 6 alkyl; and R 5 represents hydrogen atom, amino or hydroxyl.

  本发明涉及由式I表示的杂环化合物或其药学上可接受的盐以及含有该杂环化合物为有效成分的抗肿瘤剂： 1其中X代表氮原子或CH；R1代表CHnF3-n（其中n为1或2）、羟基C1-C6烷基、NHR6[其中R6代表氢原子或COR（其中R代表氢原子、C1-C6烷基或C1-C6烷氧基）]；R2代表吗啡啶基（可用一到四个C1-C6烷基取代）、硫代吗啡啶基、哌啶基、吡咯烷基（可用羟基C1-C6烷基取代）、噁唑烷基（可用一到两个C1-C6烷基取代）或四氢-1,4-噻唑-1-氧-4-基；R3和R4各自代表氢原子或C1-C6烷基；R5代表氢原子、氨基或羟基。
• AMORPHOUS FORM OF HETEROCYCLIC COMPOUND, SOLID DISPERSION AND MEDICINAL PREPARATION EACH COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF THE SAME
  申请人：ZENYAKU KOGYO KABUSHIKIKAISHA

  公开号：EP2218718A1

  公开（公告）日：2010-08-18

  [PROBLEMS] The object is to improve the absorbability of a heterocyclic compound including s-triazine and a pyrimidine derivative in vitro. [MEANS FOR SOLVING PROBLEMS] Disclosed is, for example, an amorphous body of a heterocyclic compound as represented by the general formula (I) [wherein each of R's and others is as defined in the description] including s-triazine and a pyrimidine derivative, or a hydrate, a solvate or a pharmaceutically acceptable salt of the heterocyclic compound. Also disclosed is a process for producing the amorphous body Further disclosed are: a solid dispersion comprising the amorphous body; and a medicinal preparation comprising the solid dispersion.

  [问题] 目的是提高包括 s-三嗪和嘧啶衍生物在内的杂环化合物在体外的可吸收性。[解决问题的方法]例如，公开了通式(I)所代表的杂环化合物的无定形体[其中各 R 和其它如描述中所定义]，包括 s-三嗪和嘧啶衍生物，或该杂环化合物的水合物、溶液或药学上可接受的盐。还公开了一种生产该无定形体的工艺 进一步公开了：一种包含该无定形体的固体分散体；以及一种包含该固体分散体的药物制剂。
• Amorphous body composed of heterocyclic compound, solid dispersion and pharmaceutical preparation each comprising the same, and process for production of the same
  申请人：ZENYAKU KOGYO KABUSHIKIKAISHA

  公开号：EP2409975A1

  公开（公告）日：2012-01-25

  [PROBLEMS] The object is to improve the absorbability of a heterocyclic compound including s-triazine and a pyrimidine derivative in vitro. [MEANS FOR SOLVING PROBLEMS] Disclosed is, for example, an amorphous body of a heterocyclic compound as represented by the general formula (I) [wherein each of R's and others is as defined in the description] including s-triazine and a pyrimidine derivative, or a hydrate, a solvate or a pharmaceutically acceptable salt of the heterocyclic compound. Also disclosed is a process for producing the amorphous body Further disclosed are: a solid dispersion comprising the amorphous body; and a medicinal preparation comprising the solid dispersion.

  [问题] 目的是提高包括 s-三嗪和嘧啶衍生物在内的杂环化合物在体外的可吸收性。[解决问题的方法]例如，公开了通式(I)所代表的杂环化合物的无定形体[其中各 R 和其它如描述中所定义]，包括 s-三嗪和嘧啶衍生物，或该杂环化合物的水合物、溶液或药学上可接受的盐。还公开了一种生产该无定形体的工艺 进一步公开了：一种包含该无定形体的固体分散体；以及一种包含该固体分散体的药物制剂。
• Solid dispersions comprising an amorphous body composed of a heterocyclic anti-tumor compound
  申请人：ZENYAKU KOGYO KABUSHIKIKAISHA

  公开号：EP2409975B1

  公开（公告）日：2015-05-27