(S)-4,6-dichloro-N-[1-(4-chlorophenyl)ethyl]pyrimidin-2-amine | 1359769-46-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (S)-4,6-dichloro-N-[1-(4-chlorophenyl)ethyl]pyrimidin-2-amine
• 英文别名: (S)-4,6-dichloro-N-[1-(4-chlorophenyl)ethyl]pyrimidine-2-amine；4,6-dichloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pyrimidin-2-amine
• CAS: 1359769-46-2
• 化学式: C₁₂H₁₀Cl₃N₃
• 分子量: 302.591
• InChiKey: GCORFURYXGXTLP-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-甲烷磺酰哌嗪 、 (S)-4,6-dichloro-N-[1-(4-chlorophenyl)ethyl]pyrimidin-2-amine 在 N,N-二异丙基乙胺 作用下， 以 水 、 正丁醇 为溶剂， 反应 20.0h， 生成 (S)-6-chloro-N-[1-(4-chlorophenyl)ethyl]-4-[4-(methylsulfonyl)piperazin-1-yl]pyrimidin-2-amine
  参考文献：
  名称：

  AMINOPYRAZINE DERIVATIVE AND MEDICINE

  摘要：

  本发明涉及一种符合以下（I）或（II）的一般式[1]的化合物，或该化合物的药用可接受盐。(I) X为CH或N；R1为卤原子；R2为H、卤原子、CN、[2]、[3]、[8]、[9]、一个—O-烷基、一个—O-(饱和环)等。[2]: —C(RC)(RD)(RE)（RC至RE各自为H、烷基等）[3]: —N(RF)(RG)（RF和RGeach为H、OH、氨基、(杂)芳基等）[8]: —C(═O)RL（RL为烷基、OH、烷氧基、氨基等）[9]: 一个（取代）苯基；(II) X为>C—C(—O)R3（R3为（取代）氨基、烷氧基、OH等）；R1为卤原子；R2为H；R3为H或OH；R3和R4各自为H或烷基。

  公开号：

  US20110288065A1

文献信息

• AMINOPYRAZINE DERIVATIVE AND MEDICINE
  申请人：Fujihara Hidetaka

  公开号：US20110288065A1

  公开（公告）日：2011-11-24

  The present invention relates to a compound represented by general formula [1] satisfying the following (I) or (II), or a pharmaceutical acceptable salt of the compound. (I) X is CH or N; R 1 is a halogen atom,; and R 2 is H, a halogen atom, CN, [2], [3], [8], [9], an —O-alkyl, an —O-(saturated ring), etc. [2]: —C(R C )(R D )(R E ) (R C to R E each are H, an alkyl, etc.) [3]: —N(R F )(R G ) (R F and R G each are H, OH, amino, a (hetero)aryl, etc.) [8]: —C(═O)R L (R L is an alkyl, OH, an alkoxy, amino, etc.) [9]: a (substituted)phenyl; (II) X is >C—C(—O)R 3 (R 3 is a (substituted)amino, an alkoxy, OH, etc.); R 1 is a halogen atom; R 2 is H; R 3 is H or OH; and R 3 and R 4 each are H or an alkyl.

  本发明涉及一种符合以下（I）或（II）的一般式[1]的化合物，或该化合物的药用可接受盐。(I) X为CH或N；R1为卤原子；R2为H、卤原子、CN、[2]、[3]、[8]、[9]、一个—O-烷基、一个—O-(饱和环)等。[2]: —C(RC)(RD)(RE)（RC至RE各自为H、烷基等）[3]: —N(RF)(RG)（RF和RGeach为H、OH、氨基、(杂)芳基等）[8]: —C(═O)RL（RL为烷基、OH、烷氧基、氨基等）[9]: 一个（取代）苯基；(II) X为>C—C(—O)R3（R3为（取代）氨基、烷氧基、OH等）；R1为卤原子；R2为H；R3为H或OH；R3和R4各自为H或烷基。
• Aminopyrazine Derivative and Medicine
  申请人：FUJIHARA Hidetaka

  公开号：US20130131082A1

  公开（公告）日：2013-05-23

  The present invention relates to a compound represented by general formula [1] satisfying the following (I) or (II), or a pharmaceutically acceptable salt of the compound. (I) X is CH or N; R 1 is a halogen atom; and R 2 is H, a halogen atom, CN, [2], [3], [8], [9], an —O-alkyl, an —O-(saturated ring), etc. [2]: —C(R C ) (R D ) (R E ) (R C to R E each are H, an alkyl, etc.) [3]: —N(R F ) (R G ) (R F and R G each are H, OH, amino, a (hetero) aryl, etc.) [8]: —C(═O)R L (R L is an alkyl, OH, an alkoxy, amino, etc.) [9]: a (substituted)phenyl; (II) X is ≧C—C(═O)R B (R B is a (substituted)amino, an alkoxy, OH, etc.); R 1 is a halogen atom; and R 2 is H; and R 3 is H or OH; and R 4 and R 5 each are H or an alkyl.

  本发明涉及一种由通式[1]表示的化合物，满足以下(I)或(II)，或化合物的药学可接受的盐。(I) X是CH或N; R1是卤素原子; R2是H、卤素原子、CN、[2]、[3]、[8]、[9]、—O-烷基、—O-(饱和环)等。[2]:—C(RC)(RD)(RE)(RC到RE每个都是H、烷基等)。[3]:—N(RF)(RG)(RF和RG每个都是H、OH、氨基、(杂)芳基等)。[8]:—C(═O)RL(RL是烷基、OH、烷氧基、氨基等)。[9]:一个(取代)苯基；(II) X是≧C—C(═O)RB(RB是(取代)氨基、烷氧基、OH等);R1是卤素原子; R2是H; R3是H或OH; R4和R5每个都是H或烷基。
• Aminopyrazine derivative and medicine
  申请人：Fujihara Hidetaka

  公开号：US08673891B2

  公开（公告）日：2014-03-18

  The present invention relates to a compound represented by general formula [1] satisfying the following (I) or (II), or a pharmaceutical acceptable salt of the compound. (I) X is CH or N; R1 is a halogen atom, and R2 is H, a halogen atom, CN, [2], [3], [8], [9], an —O-alkyl, an —O-(saturated ring), etc. [2]: —C(RC)(RD)(RE) (RC to RE each are H, an alkyl, etc.) [3]: —N(RF)(RG) (RF and RG each are H, OH, amino, a (hetero)aryl, etc.) [8]: —C(═O)RL (RL is an alkyl, OH, an alkoxy, amino, etc.) [9]: a (substituted)phenyl; (II) X is >C—C(—O)RB (RB is a (substituted)amino, an alkoxy, OH, etc.); R1 is a halogen atom; R2 is H; R3 is H or OH; and R3 and R4 each are H or an alkyl.

  本发明涉及满足以下（I）或（II）的一般式[1]所代表的化合物，或该化合物的药物可接受的盐。（I）X为CH或N；R1为卤素原子，R2为H，卤素原子，CN，[2]，[3]，[8]，[9]，-O-烷基，-O-（饱和环）等。[2]：-C（RC）（RD）（RE）（RC到RE各自为H，烷基等）[3]：-N（RF）（RG）（RF和RG各自为H，OH，氨基，（杂）芳基等）[8]：-C（═O）RL（RL为烷基，OH，烷氧基，氨基等）[9]：（取代）苯基；（II）X为>C—C（—O）RB（RB为（取代）氨基，烷氧基，OH等）；R1为卤素原子；R2为H；R3为H或OH；R3和R4各自为H或烷基。
• US8586591B2
  申请人：——

  公开号：US8586591B2

  公开（公告）日：2013-11-19
• US8673891B2
  申请人：——

  公开号：US8673891B2

  公开（公告）日：2014-03-18