ethyl 4-(3-(4-fluorophenyl)-7-hydroxy-2-methylpyrazolo[1,5-a]-pyrimidin-5-yl)piperidine-1-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 4-(3-(4-fluorophenyl)-7-hydroxy-2-methylpyrazolo[1,5-a]-pyrimidin-5-yl)piperidine-1-carboxylate
• 英文别名: ethyl 4-(3-(4-fluorophenyl)-7-hydroxy-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1 carboxylate；M085
• 化学式: C₂₁H₂₃FN₄O₃
• 分子量: 398.437
• InChiKey: BFZOZLAMQAIRGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  79.96
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1-(乙氧基羰基)哌啶-4-甲酸 在 4-二甲氨基吡啶 、 溶剂黄146 、 magnesium chloride 作用下， 以 四氢呋喃 、 乙醇 、 乙腈 为溶剂， 反应 10.0h， 生成 ethyl 4-(3-(4-fluorophenyl)-7-hydroxy-2-methylpyrazolo[1,5-a]-pyrimidin-5-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  吡唑并嘧啶类化合物及其药物组合物和其在制 药中的应用

  摘要：

  提供结构式（I）所示的吡唑并嘧啶类化合物，其为活性成分的药物组合物，它们的制备方法，以及在制备TRPC6调节剂探针药物及在制备防治肾小球疾病及心肌肥大症相关药物中的应用。本发明中的吡唑并嘧啶及其衍生物可制备成各种形式的药物制剂，包括口服、注射、肺吸入制剂、透皮制剂，具体包括注射剂、口服液、片剂、胶囊剂、颗粒剂、气雾剂、粉雾剂、喷雾剂、贴剂等。

  公开号：

  CN103694242B

文献信息

• PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVE AND USE OF ANTI-TUMOR THEREOF
  申请人：YANTAI UNIVERSITY

  公开号：US20160102095A1

  公开（公告）日：2016-04-14

  The present invention relates to a pyrazolo[1,5-a]pyrimidine derivative of general formula 1 and a pharmaceutically acceptable salt thereof. The present invention also relates to use of compounds of formula 1 in the preparation of an anti-tumor medicament.

  本发明涉及一种通式1的吡唑并[1,5-a]嘧啶衍生物及其药用可接受的盐。本发明还涉及在制备抗肿瘤药物时使用通式1的化合物。
• Pyrazolopyrimidines as Potent Stimulators for Transient Receptor Potential Canonical 3/6/7 Channels
  作者：Chunrong Qu、Mingmin Ding、Yingmin Zhu、Yungang Lu、Juan Du、Melissa Miller、Jinbin Tian、Jinmei Zhu、Jian Xu、Meng Wen、AGA Er-Bu、Jule Wang、Yuling Xiao、Meng Wu、Owen B. McManus、Min Li、Jilin Wu、Huai-Rong Luo、Zhengyu Cao、Bing Shen、Hongbo Wang、Michael X. Zhu、Xuechuan Hong

  DOI：10.1021/acs.jmedchem.7b00304

  日期：2017.6.8

  Transient receptor potential canonical 3/6/7 (TRPC3/6/7) are highly homologous receptor-operated nonselective cation channels. Despite their physiological significance, very few selective and potent agonists are available for functional examination of these channels. Using a cell-based high throughput screening approach, a lead compound with the pyrazolopyrimidine skeleton was identified as a TRPC6 agonist. Synthetic schemes for the lead and its analogues were established, and structural activity relationship studies were carried out. A series of potent and direct agonists of TRPC3/6/7 channels were identified, and among them, 4m-4p have a potency order of TRPC3 > C7 > C6, with 4n being the most potent with an EC50 of <20 nM on TRPC3. Importantly, these compounds exhibited no stimulatory activity on related TRP channels. The potent and selective compounds described here should be suitable for evaluation of the roles of TRPC channels in the physiology and pathogenesis of diseases, including glomerulosderosis and cancer.
• US9499552B2
  申请人：——

  公开号：US9499552B2

  公开（公告）日：2016-11-22