3-[2-[2-(2-naphthyl)ethoxy]-4-(1H-pyrazol-1-ylmethyl)phenyl]propanoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-[2-[2-(2-naphthyl)ethoxy]-4-(1H-pyrazol-1-ylmethyl)phenyl]propanoic acid
• 英文别名: 3-(2-(2-(naphthalen-2-yl)ethoxy)-4-(pyrazol-1-ylmethyl)phenyl)propanoic acid；3-[2-(2-Naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid
• 化学式: C₂₅H₂₄N₂O₃
• 分子量: 400.477
• InChiKey: SREGRCFSXVBPIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[2-[2-(2-naphthyl)ethoxy]-4-(1H-pyrazol-1-ylmethyl)phenyl]propanoic acid 在 N,N-二甲基甲酰胺 草酰氯 、 氨 、 盐酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.0h， 生成 3-[2-[2-(naphthalen-2-yl)ethyloxy]-4-(1-pyrazolylmethyl)phenyl]propanamide
  参考文献：
  名称：

  EP1431267

  摘要：

  公开号：
• 作为产物：
  描述：

  ethyl 3-[2-[2-(2-naphthyl)ethoxy]-4-(1H-pyrazol-1-ylmethyl)phenyl]propanoate 在 sodium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 2.0h， 以52%的产率得到3-[2-[2-(2-naphthyl)ethoxy]-4-(1H-pyrazol-1-ylmethyl)phenyl]propanoic acid
  参考文献：
  名称：

  发现了一系列丙烯酸及其衍生物，作为选择性EP3受体拮抗剂的化学线索

  摘要：

  评价了一系列丙烯酸及其与结构相关的化合物与四种EP受体亚型（EP1-4）的结合亲和力。从在我们的内部库中发现的第3个匹配项开始，化合物4和5被确定为新的化学线索，可作为进一步优化选择性EP3受体拮抗剂的候选对象。介绍了这些化合物的鉴定过程及其药代动力学特征。

  DOI：

  10.1016/j.bmc.2009.08.007

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。
• REMEDIES FOR PRURITUS
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1426059A1

  公开（公告）日：2004-06-09

  The present invention relates to agents for treating and/or preventing pruritus which comprise, as the active ingredient, the compound with antagonistic activity for EP3 receptor which is one of prostaglandin E2 receptor subtypes. The compounds with antagonistic activity for EP3 are useful in treating and/or preventing pruritus in diseases with itch, example for, eczema, urticaria, contact dermatitis, atopic dermatitis, dermatitis herpetiformis, psoriasis, lichen planus, rhus dermatitis, biliary obstruction, uremia, lymphoma, leukemia, polycythemia vera, dry skin, or hemodialysis performed in treating renal involvement with chronic glomerulonephritis, diabetes mellitus, nephrosclerosis, cystic kidney or systemic disease, or conjunctivitis.

  本发明涉及治疗和/或预防瘙痒症的制剂，其活性成分包括对前列腺素E2受体亚型之一的EP3受体具有拮抗活性的化合物。具有 EP3 拮抗活性的化合物可用于治疗和/或预防瘙痒性疾病中的瘙痒，例如湿疹、荨麻疹、接触性皮炎、特应性皮炎、疱疹性皮炎、银屑病、扁平苔藓、疹性皮炎、胆道梗阻、尿毒症、胆道梗阻、尿毒症、淋巴瘤、白血病、真性红细胞增多症、皮肤干燥症，或为治疗慢性肾小球肾炎、糖尿病、肾硬化症、囊性肾或全身性疾病或结膜炎等肾脏病而进行的血液透析。
• Remedies for pruritus
  申请人：——

  公开号：US20040235955A1

  公开（公告）日：2004-11-25

  The present invention relates to agents for treating and/or preventing pruritus which comprise, as the active ingredient, the compound with antagonistic activity for EP 3 receptor which is one of prostaglandin E 2 receptor subtypes. The compounds with antagonistic activity for EP 3 are useful in treating and/or preventing pruritus in diseases with itch, example for, eczema, urticaria, contact dermatitis, atopic dermatitis, dermatitis herpetiformis, psoriasis, lichen planus, rhus dermatitis, biliary obstruction, uremia, lymphoma, leukemia, polycythemia vera, dry skin, or hemodialysis performed in treating renal involvement with chronic glomerulonephritis, diabetes mellitus, nephrosclerosis, cystic kidney or systemic disease, or conjunctivitis.

  本发明涉及治疗和/或预防瘙痒症的制剂，其活性成分包括对 EP 3 受体具有拮抗活性的化合物，该受体是前列腺素 E 2 受体亚型之一。具有拮抗 EP 3 可用于治疗和/或预防瘙痒性疾病中的瘙痒，例如湿疹、荨麻疹、接触性皮炎、特应性皮炎、疱疹性皮炎、银屑病、扁平苔藓、疹性皮炎、胆道梗阻、尿毒症、淋巴瘤、白血病、真性红细胞增多症、皮肤干燥症等、尿毒症、淋巴瘤、白血病、真性红细胞增多症、皮肤干燥症，或为治疗慢性肾小球肾 炎、糖尿病、肾硬化症、囊性肾或全身性疾病或结膜炎等肾脏疾病而进行的血液透析。