3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-(4-fluorophenyl)-propan-1-one | 427896-68-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-(4-fluorophenyl)-propan-1-one
• 英文别名: 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-(4-fluorophenyl)propan-1-one
• CAS: 427896-68-2
• 化学式: C₁₈H₁₈FN₃O
• 分子量: 311.359
• InChiKey: HHQBWQDTBFUMAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  53.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(4-aminophenyl)-1-(4-fluorophenyl)propan-1-one 、 2-氯-4,5-二氢-1H-咪唑磺酸盐 在 sodium hydroxide 、 水 、 Brine 、 potassium carbonate 、 silica gel 、 methanol-dichloromethane 作用下， 以 异丙醇 、 乙酸乙酯 为溶剂， 反应 0.25h， 以gave 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-(4-fluorophenyl)propan-1-one as an oil (1.01 g, 76.5%)的产率得到3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-(4-fluorophenyl)-propan-1-one
  参考文献：
  名称：

  SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS

  摘要：

  本发明涉及一些化合物，通常是IP受体调节剂，特别是IP受体拮抗剂，其由公式I表示：其中A，R1和R2如说明书中所定义的那样；以及其各个异构体，外消旋或非外消旋异构体混合物和药学上可接受的盐或溶剂。本发明还涉及含有这样的化合物的制药组合物以及其作为治疗剂的使用方法。

  公开号：

  US20020091147A1

文献信息

• SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS
  申请人：——

  公开号：US20020091147A1

  公开（公告）日：2002-07-11

  This invention relates to compounds which are generally IP receptor modulators, particularly IP receptor antagonists, and which are represented by Formula I: 1 wherein A, R 1 and R 2 are as defined in the specification; and individual isomers, racemic or non-racemic mixtures of isomers, and pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds and methods for their use as therapeutic agents.

  本发明涉及一些化合物，通常是IP受体调节剂，特别是IP受体拮抗剂，其由公式I表示：其中A，R1和R2如说明书中所定义的那样；以及其各个异构体，外消旋或非外消旋异构体混合物和药学上可接受的盐或溶剂。本发明还涉及含有这样的化合物的制药组合物以及其作为治疗剂的使用方法。
• SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1339694A1

  公开（公告）日：2003-09-03
• US6417186B1
  申请人：——

  公开号：US6417186B1

  公开（公告）日：2002-07-09
• [EN] SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS<br/>[FR] DERIVES DE 2-PHENYLAMINOIMIDAZOLINE PHENYLE CETONE SUBSTITUES UTILISES COMME ANTAGONISTES DE LA PROSTAGLANDINE I2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002040453A1

  公开（公告）日：2002-05-23

  This invention relates to compounds which are generally prostaglandins I2 (IP) receptor modulators, particularly IP receptor antagonists, and which are represented by the general formula (I) wherein A, R?1 and R2¿ are defined in the specification; and individual isomers, racemic or non-racemic mixtures of isomers, and pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds, a process for the preparation of such compounds and their use for treating diseases associated with pain, inflammation, urinary tract disease states, respiratory disease states, edema formation, or hypotensive vascular diseases.
• Substituted-phenyl ketone derivatives as IP antagonists
  申请人：Syntex (U.S.A.) LLC

  公开号：US06417186B1

  公开（公告）日：2002-07-09

  This invention relates to compounds which are generally IP receptor modulators, particularly IP receptor antagonists, and which are represented by Formula I: wherein A, R1 and R2 are as defined in the specification; and individual isomers, racemic or non-racemic mixtures of isomers, and pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds and methods for their use as therapeutic agents.

  本发明涉及一般为IP受体调节剂的化合物，特别是IP受体拮抗剂，其由以下式I表示：其中A、R1和R2如规范中定义；以及其各个异构体、消旋或非消旋异构体混合物，以及其药用可接受的盐或溶剂。该发明还涉及含有这种化合物的药物组合物以及其作为治疗剂的使用方法。