5-hydroxy-3-phenyl-1-(pyrid-2-yl)-1H-pyrazole | 140397-82-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-hydroxy-3-phenyl-1-(pyrid-2-yl)-1H-pyrazole
• 英文别名: 1-(2-pyridinyl)-3-(phenyl)-5-hydroxypyrazole；3-phenyl-5-hydroxy-1-(2-pyridyl)-1H-pyrazole；1-(pyridin-2-yl)-3-phenyl-1H-pyrazol-5-ol；3-phenyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol
• CAS: 140397-82-6
• 化学式: C₁₄H₁₁N₃O
• mdl: MFCD13248764
• 分子量: 237.261
• InChiKey: GHSRLQHTSTVQNM-UHFFFAOYSA-N

物化性质

• 熔点：
  110-113 °C
• 沸点：
  473.6±35.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.25
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.94
• 氢给体数：
  1.0
• 氢受体数：
  3.0

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  5-hydroxy-3-phenyl-1-(pyrid-2-yl)-1H-pyrazole 在 乙醇 作用下， 以 正己醛 为溶剂， 反应 12.0h， 以to give the target compound in 76% yield的产率得到4-hexylidene-3-phenyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol
  参考文献：
  名称：

  PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTING AND TREATING OSTEOPOROSIS CONTAINING SAME

  摘要：

  本发明提供了一种吡唑衍生物化合物及其药学上可接受的盐。该发明的化合物对于预防和治疗骨质疏松症具有显著的功效。

  公开号：

  US20140128418A1
• 作为产物：
  描述：

  2-(5-ethoxy-3-phenyl-1H-pyrazol-1-yl)pyridine 在 三溴化硼 、 水 作用下， 以 二氯甲烷 、 乙醇 为溶剂， 反应 48.0h， 以29%的产率得到5-hydroxy-3-phenyl-1-(pyrid-2-yl)-1H-pyrazole
  参考文献：
  名称：

  N-arylation of 3-alkoxypyrazoles, the case of the pyridines

  摘要：

  In the course of a research program focused on the preparation of libraries of new chemical entities derived from 3-alkoxypyrazoles, we studied their N-pyridylation using 2, 3 or 4-bromopyridines This was achieved using Cristau and Taillefer copper-catalyzed arylation method and mostly led to the 3-alkoxy-1H-pyrazol-1-yl pyridine isomer along with lesser amount of the alternative 5-alkoxy-1H-pyrazol-1-yl pyridine The structures of these isomers were often established via their chemical tansformations and sometimes recourse to unambiguous synthetic routes for comparison purposes The alternative use of 2-fluoropyridine-based arylation was also investigated and lifted some of the limitations encountered in the course of this study (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.02.032

文献信息

• Identification of small molecule inhibitors of human COQ7
  作者：Keiko Tsuganezawa、Katsuhiko Sekimata、Yukari Nakagawa、Rei Utata、Kana Nakamura、Naoko Ogawa、Hiroo Koyama、Mikako Shirouzu、Takehiro Fukami、Kiyoshi Kita、Akiko Tanaka

  DOI：10.1016/j.bmc.2019.115182

  日期：2020.1

  tools for UQ homeostasis studies are awaited. We set out to develop human COQ7 inhibitors that interfere with UQ synthesis. Systematic structure-activity relationship development starting from a screening hit compound led to the identification of highly potent COQ7 inhibitors that did not disturb physiological cell growth of human normal culture cells. These new COQ7 inhibitors may serve as useful

  鉴于泛醌（UQ或辅酶Q）缺乏症的相关临床表现高度异质且复杂，因此需要有效的新研究工具进行UQ稳态研究。我们着手开发可干扰UQ合成的人COQ7抑制剂。从筛选命中化合物开始的系统结构与活性关系的发展导致鉴定了高效的COQ7抑制剂，该抑制剂不会干扰人类正常培养细胞的生理细胞生长。这些新的COQ7抑制剂可作为研究UQ补充途径（从头UQ合成和细胞外UQ摄取）之间平衡的有用工具。
• Dibromination of 5-pyrazolones and 5-hydroxypyrazoles via dibromoisocyanuric acid
  作者：Kaung-Min Cheng、Jin Bin Wu、Hui-Chang Lin、Jiann-Jyh Huang、Yu-Ying Huang、Shao-Kai Lin、Tsung-Ping Lin、Fung Fuh Wong

  DOI：10.1002/jhet.442

  日期：——

  A safe and efficient method was developed for the dibromination of pyrazolones and 5‐hydroxypyrazoles by use of dibromoisocyanuric acid (DBI). The reaction gave the corresponding dibrominated pyrazolones in excellent yields (≥91%). J. Heterocyclic Chem., (2010).

  通过使用二溴异氰尿酸（DBI），开发了一种安全高效的方法，用于吡唑啉酮和5-羟基吡唑的二溴化。该反应以优异的产率（≥91％）得到了相应的二溴代吡唑啉酮。J.杂环化​​学。（2010）。
• Structural Requirements of 1-(2-Pyridinyl)-5-pyrazolones for Disproportionation of Boronic Acids
  作者：Joungmo Cho、Venkata Subbaiah Sadu、Yohan Han、Yunsoo Bae、Hwajeong Lee、Kee-In Lee

  DOI：10.3390/molecules26226814

  日期：——

  1-(2-pyridinyl)-5-pyrazolone derivatives with arylboronic acids in the basic media. The exact mechanism is not clear; however, the use of unprotected boronic acid and the presence of a bidentate ligand appeared to be the key structural requirements for the transformation. The results suggest that base-promoted disproportionation of arylboronic acid with the assistance of the [N,O]-bidentate ligation of

  我们在碱性介质中观察到 1-(2-吡啶基)-5-吡唑啉酮衍生物与芳基硼酸反应异常形成的四配位硼 (III) 配合物。确切机制尚不清楚；然而，未受保护的硼酸的使用和双齿配体的存在似乎是转化的关键结构要求。结果表明，在1-(2-吡啶基)-5-吡唑啉酮的[ N，O ]-二齿连接的帮助下，芳基硼酸的碱促进歧化应该发生并促进吡唑二芳基硼酸酯的形成。目前正在进行实验以更深入地了解其机制。
• COMPOSITION FOR PREVENTING AND TREATING CARDIOVASCULAR DISEASES, CONTAINING PYRAZOLE DERIVATIVE
  申请人：Bae Yun Soo

  公开号：US20140088152A1

  公开（公告）日：2014-03-27

  The present invention provides a composition comprising a pyrazole derivative compound and a pharmaceutically acceptable salt thereof. The composition is remarkably effective for preventing and treating cardiovascular diseases.

  本发明提供了一种包含吡唑衍生物化合物及其药学上可接受的盐的组合物。该组合物对于预防和治疗心血管疾病具有显著的效果。
• PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND COMPOSITION FOR PREVENTION AND TREATMENT OF OSTEOPOROSIS CONTAINING SAME
  申请人：Bae Yun Soo

  公开号：US20120220550A1

  公开（公告）日：2012-08-30

  The present invention provides pyrazole derivative compounds and pharmaceutically acceptable salts thereof. The compounds of the present invention have an excellent effect of preventing and treating osteoporosis.

  本发明提供了吡唑衍生物化合物及其药学上可接受的盐。本发明的化合物具有出色的预防和治疗骨质疏松症的效果。