2-(4-methyl-3,5-diphenyl-1H-pyrazol-1-yl)thiazole-4-carboxylic acid | 1204746-38-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-methyl-3,5-diphenyl-1H-pyrazol-1-yl)thiazole-4-carboxylic acid
• 英文别名: 2-(4-Methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
• CAS: 1204746-38-2
• 化学式: C₂₀H₁₅N₃O₂S
• 分子量: 361.424
• InChiKey: QEOBCNBMVHTMBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  96.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲基-1,3-二苯基丙烷-1,3-二酮 在 potassium phosphate 、 copper(l) iodide 、 (1S,2S)-(+)-N,N'-二甲基环己烷-1,2-二胺 、 一水合肼 、 溶剂黄146 、 sodium hydroxide 作用下， 以 乙醇 、 均三甲苯 为溶剂， 反应 0.5h， 生成 2-(4-methyl-3,5-diphenyl-1H-pyrazol-1-yl)thiazole-4-carboxylic acid
  参考文献：
  名称：

  Hit-to-lead optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as a novel class of EP1 receptor antagonists

  摘要：

  We describe a medicinal chemistry approach to generate a series of 2-(1H-pyrazol-1-yl)thiazole compounds that act as selective EP1 receptor antagonists. The obtained results suggest that compound 12 provides the best EP1 receptor antagonist activity and demonstrates good oral pharmacokinetics. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.032

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS
  申请人：ATOBE Masakazu

  公开号：US20100029690A1

  公开（公告）日：2010-02-04

  Nitrogen-containing heterocyclic compounds represented by the following Formula (1) are provided. The compounds or salts thereof have a strong EP1 antagonistic activity when they are administered to a human or an animal, and they are useful as an effective component of a pharmaceutical agent for prophylaxis and/or treatment of an overactive bladder, for example. Furthermore, they are useful as an effective component of a pharmaceutical agent for the prophylaxis and/or treatment of symptoms including frequent urination, urinary urgency and urinary incontinence.

  提供以下式（1）所代表的含氮杂环化合物。当这些化合物或其盐被给予人类或动物时，它们具有强烈的EP1拮抗活性，并且它们作为预防或治疗过度活动膀胱的药物的有效成分是有用的，例如。此外，它们作为预防或治疗包括频繁排尿、尿急和尿失禁等症状的药物的有效成分是有用的。
• NITROGENATED HETEROCYCLIC COMPOUND
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP2314587A1

  公开（公告）日：2011-04-27

  Nitrogen-containing heterocyclic compounds represented by the following Formula (1) are provided. The compounds or salts thereof have a strong EP1 antagonistic activity when they are administered to a human or an animal, and they are useful as an effective component of a pharmaceutical agent for prophylaxis and/or treatment of an overactive bladder, for example. Furthermore, they are useful as an effective component of a pharmaceutical agent for the prophylaxis and/or treatment of symptoms including frequent urination, urinary urgency and urinary incontinence.

  本发明提供了由下式（1）代表的含氮杂环化合物。这些化合物或其盐类在给人或动物用药时具有很强的 EP1 拮抗活性，可作为预防和/或治疗膀胱过度活动症等药物的有效成分。此外，它们还是预防和/或治疗尿频、尿急和尿失禁等症状的药剂的有效成分。
• US7960392B2
  申请人：——

  公开号：US7960392B2

  公开（公告）日：2011-06-14