3-(2-(2-(benzothiophen-3-yl)ethoxy)-4-(pyrazol-1-ylmethyl)phenyl)propanoic acid | 499144-31-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 3-(2-(2-(benzothiophen-3-yl)ethoxy)-4-(pyrazol-1-ylmethyl)phenyl)propanoic acid
• 英文别名: 3-[2-[2-(1-Benzothiophen-3-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
• CAS: 499144-31-9
• 化学式: C₂₃H₂₂N₂O₃S
• 分子量: 406.505
• InChiKey: YHKFOFSPBMTEQL-UHFFFAOYSA-N

物化性质

• 沸点：
  647.6±55.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  92.6
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT
  申请人：Tani Kousuke

  公开号：US20090318703A1

  公开（公告）日：2009-12-24

  A carboxylic acid derivative of formula (I): wherein R 1 is —COOH, —COOR 6 , etc.; A is a single bond, alkylene, etc.; R 2 is alkyl, alkoxy, etc.; B is a carbocyclic ring or a heterocyclic ring; Q is alkylnene-Cyc2, etc.; D is a linking chain; and R 3 is alkyl, a carbocyclic ring or a heterocyclic ring, or a non-toxic salt thereof. The compound of formula (I) binds to PGE 2 receptor, especially subtypes EP 3 and/or EP 4 and show the antagonizing activity, are useful for the prevention and/or treatment of diseases induced pain, itch, urticaria, allergy, urinary frequency, urinary disturbance, Alzheimer's disease, cancer, dysmenorrhea, endometriosis, etc.

  化学式为（I）的羧酸衍生物：其中R1为—COOH，—COOR6等；A为单键，烷基等；R2为烷基，烷氧基等；B为碳环或杂环；Q为烷基烯-Cyc2等；D为连接链；R3为烷基，碳环或杂环，或其无毒盐。化合物（I）与PGE2受体结合，特别是亚型EP3和/或EP4，并显示拮抗活性，对于预防和/或治疗由疼痛、瘙痒、荨麻疹、过敏、尿频、尿液障碍、阿尔茨海默病、癌症、痛经、子宫内膜异位症等引起的疾病有用。
• Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient
  申请人：Tani Kousuke

  公开号：US20060258728A1

  公开（公告）日：2006-11-16

  A carboxylic acid derivative of formula (I): wherein R 1 is —COOH, —COOR 6 , etc.; A is a single bond, alkylene, etc.; R 2 is alkyl, alkoxy, etc.; B is a carbocyclic ring or a heterocyclic ring; Q is alkylnene-Cyc2, etc.; D is a linking chain; and R 3 is alkyl, a carbocyclic ring or a heterocyclic ring, or a non-toxic salt thereof. The compound of formula (I) binds to PGE 2 receptor, especially subtypes EP 3 and/or EP 4 and show the antagonizing activity, are useful for the prevention and/or treatment of diseases induced pain, itch, urticaria, allergy, urinary frequency, urinary disturbance, Alzheimer's disease, cancer, dysmenorrhea, endometriosis, etc.

  化学式为（I）的羧酸衍生物：其中R1为—COOH，—COOR6等；A为单键，烷基等；R2为烷基，烷氧基等；B为碳环或杂环；Q为烷基烯-Cyc2等；D为连接链；R3为烷基，碳环或杂环，或其无毒盐。化合物（I）与PGE2受体结合，特别是亚型EP3和/或EP4，并显示拮抗活性，可用于预防和/或治疗因疼痛、瘙痒、荨麻疹、过敏、尿频、尿障碍、阿尔茨海默病、癌症、痛经、子宫内膜异位症等引起的疾病。
• CARBOXYLIC ACID DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THESE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1431267A1

  公开（公告）日：2004-06-23

  A carboxylic acid derivative of formula (I): wherein R1 is -COOH, -COOR6, etc.; A is a single bond, alkylene, etc.; R2 is alkyl, alkoxy, etc.; B is a carbocyclic ring or a heterocyclic ring; Q is alkylnene-Cyc2, etc.; D is a linking chain; and R3 is alkyl, a carbocyclic ring or a heterocyclic ring, or a non-toxic salt thereof. The compound of formula (I) binds to PGE2 receptor, especially subtypes EP3 and/or EP4 and show the antagonizing activity, are useful for the prevention and/or treatment of diseases induced pain, itch, urticaria, allergy, urinary frequency, urinary disturbance, Alzheimer's disease, cancer, dysmenorrhea, endometriosis, etc.

  式(I)的羧酸衍生物： 其中 R1 为-COOH、-COOR6 等；A 为单键、亚烷基等；R2 为烷基、烷氧基等；B 为碳环或杂环；Q 为烷基烯-Cyc2 等；D 为连接链；R3 为烷基、碳环或杂环，或其无毒盐。式（I）化合物能与 PGE2 受体，特别是 EP3 和/或 EP4 亚型结合并显示出拮抗活性，可用于预防和/或治疗诱发疼痛、瘙痒、荨麻疹、过敏、尿频、排尿障碍、老年痴呆症、癌症、痛经、子宫内膜异位症等疾病。
• US7491748B2
  申请人：——

  公开号：US7491748B2

  公开（公告）日：2009-02-17
• US7786161B2
  申请人：——

  公开号：US7786161B2

  公开（公告）日：2010-08-31