化合物PYR10 | 1315323-00-2

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 化合物PYR10
• 英文名称: Pyr10
• 英文别名: TPRC3 Channel Inhibitor III, Pyr10；N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzenesulfonamide
• CAS: 1315323-00-2
• 化学式: C₁₈H₁₃F₆N₃O₂S
• 分子量: 449.377
• InChiKey: CVALMMCIOLXHDM-UHFFFAOYSA-N

物化性质

• 熔点：
  105-107 °C
• 沸点：
  470.1±55.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)
• 溶解度：
  DMSO：100 mg/mL (222.53 mM)；水：< 0.1 mg/mL（不溶）

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  72.4
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1,1,1,5,5,5-hexafluoro-4-hydroxy-pent-3-en-2-one 在 吡啶 、 盐酸 、 palladium 10% on activated carbon 、 环己烯 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 0.24h， 生成 化合物PYR10
  参考文献：
  名称：

  Microwave-Assisted and Continuous Flow Multistep Synthesis of 4-(Pyrazol-1-yl)carboxanilides

  摘要：

  A series of 4-(pyrazol-1-yl)carboxanilides active as inhibitors of canonical transient receptor potential channels were synthesized in an efficient three-step protocol using controlled microwave heating. The general synthetic strategy involves condensation of 4-nitrophenylhydrazine with appropriate 1,3-dicarbonyl building blocks, followed by reduction of the nitro group to the amine, which is then amidated with carboxylic acids. Compared to the conventional protocol a dramatic reduction in overall processing time from similar to 2 days to a few minutes was achieved, accompanied by significantly improved product yields. In addition, the first two steps in the synthetic pathway were also performed under continuous flow conditions providing similar isolated product yields. As an alternative to the three-step protocol, a novel two-step route to the desired 4-(pyrazol-1-yl)carboxanilides was devised involving condensation of 4-bromophenylhydrazine with appropriate 1,3-dicarbonyl building blocks, followed by Pd-catalyzed Buchwald-Hartwig amidation with carboxylic acid amides.

  DOI：

  10.1021/jo2009824

文献信息

• Methods and compositions for treating chlorine-gas induced lung injury
  申请人：National Jewish Health

  公开号：US11166981B2

  公开（公告）日：2021-11-09

  The invention provides methods and compositions for treating and/or preventing chlorine-gas induced lung injury with sodium thiosulfate.

  本发明提供了用硫代硫酸钠治疗和/或预防氯气引起的肺损伤的方法和组合物。
• NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME
  申请人：THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA

  公开号：US20170114060A1

  公开（公告）日：2017-04-27

  The present invention includes compounds that are useful in preventing or treating viral infections caused by an enveloped RNA virus, such as viral infections caused by a Filovirus, arenavirus, rhabdovirus, paramyxovirus, orthomyxovirus and/or retrovirus. The present invention further includes compositions comprising such compounds, and methods of treating a viral infection in a subject using such compounds.
• Methods and Compositions for Treating Chlorine-Gas Induced Lung Injury
  申请人：National Jewish Health

  公开号：US20200316108A1

  公开（公告）日：2020-10-08

  The invention provides methods and compositions for treating and/or preventing chlorine-gas induced lung injury with sodium thiosulfate.
• METHODS FOR DETECTING DISORDERS RELATED TO CALCIUM DISCHARGE FROM INTRACELLULAR STORES
  申请人：The Regents of the University of California

  公开号：US20210311075A1

  公开（公告）日：2021-10-07

  Provided herein are methods for determining whether a subject has an increased likelihood of having a disorder related to abnormal intracellular calcium store discharge. In some embodiments, the method is useful for determining whether the subject has an increased likelihood of having a neurodegenerative disease, skeletal muscle disease, cardiac muscle disease, autoimmune disease, cancer, diabetes, or has been exposed to an environmental pollutant. Kits are also provided herein.
• [EN] NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME<br/>[FR] NOUVEAUX COMPOSÉS ANTIVIRAUX EFFICACES ET LEURS MÉTHODES D'UTILISATION
  申请人：UNIV PENNSYLVANIA

  公开号：WO2015187827A1

  公开（公告）日：2015-12-10

  The present invention includes compounds that are useful in preventing or treating viral infections caused by an enveloped RNA virus, such as viral infections caused by a filovirus, arenavirus, rhabdovirus, paramyxovirus, orthomyxovirus and/or retrovirus. The present invention further includes compositions comprising such compounds, and methods of treating a viral infection in a subject using such compounds.