2-(4-Methoxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid | 1204746-30-4

• 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-Methoxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
• 英文别名: 2-(4-methoxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
• CAS: 1204746-30-4
• 化学式: C₂₀H₁₅N₃O₃S
• 分子量: 377.423
• InChiKey: UGWRGIQZGCREDV-UHFFFAOYSA-N

物化性质

• 沸点：
  584.4±60.0 °C(predicted)
• 密度：
  1.37±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 2-(4-hydroxy-3,5-diphenyl-1H-pyrazol-1-yl)thiazole-4-carboxylate 在 sodium hydride 、 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(4-Methoxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
  参考文献：
  名称：

  SAR-based optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as highly potent EP1 receptor antagonists

  摘要：

  We describe a medicinal chemistry approach for generating a series of 2-(1H-pyrazol-1-yl)thiazoles as EP1 receptor antagonists. To improve the physicochemical properties of compound 1, we investigated its structure-activity relationships (SAR). Optimization of this lead compound provided small compound 25 which exhibited the best EP1 receptor antagonist activity and a good SAR profile. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.10.065

文献信息

• US7960392B2
  申请人：——

  公开号：US7960392B2

  公开（公告）日：2011-06-14
• SAR-based optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as highly potent EP1 receptor antagonists
  作者：Masakazu Atobe、Kenji Naganuma、Masashi Kawanishi、Akifumi Morimoto、Ken-ichi Kasahara、Shigeki Ohashi、Hiroko Suzuki、Takahiko Hayashi、Shiro Miyoshi

  DOI：10.1016/j.bmcl.2013.10.065

  日期：2013.12

  We describe a medicinal chemistry approach for generating a series of 2-(1H-pyrazol-1-yl)thiazoles as EP1 receptor antagonists. To improve the physicochemical properties of compound 1, we investigated its structure-activity relationships (SAR). Optimization of this lead compound provided small compound 25 which exhibited the best EP1 receptor antagonist activity and a good SAR profile. (C) 2013 Elsevier Ltd. All rights reserved.