N'-[1-(3,4-dimethoxyphenyl)ethylidene]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide | 307321-52-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N'-[1-(3,4-dimethoxyphenyl)ethylidene]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
• 英文别名: N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
• CAS: 307321-52-4；1259484-97-3
• 化学式: C₂₁H₂₂N₄O₄
• 分子量: 394.43
• InChiKey: GMFUWEBOUKIKRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  97.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对甲氧基苯乙酮 在 甲醇 、 sodium 、 溶剂黄146 、 肼 作用下， 以 乙醇 、 二甲基亚砜 、 苯 为溶剂， 反应 6.0h， 生成 N'-[1-(3,4-dimethoxyphenyl)ethylidene]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
  参考文献：
  名称：

  Development of a sphingosine kinase 1 specific small-molecule inhibitor

  摘要：

  The sphingolipid metabolic pathway represents a potential source of new therapeutic targets for numerous hyperproliferative/inflammatory diseases. Targets such as the sphingosine kinases (SphKs) have been extensively studied and numerous strategies have been employed to develop inhibitors against these enzymes. Herein, we report on the optimization of our novel small-molecule inhibitor SKI-I (N '-[(2-hydroxy-1-naphthyl) methylene]-3-(2-naphthyl)-1H-pyrazole-5-carbohydrazide) and the identification of a SphK1-specific analog, SKI-178, that is active in vitro and in vivo. This SphK1 specific small-molecule, non-lipid like, inhibitor will be of use to elucidate the roles of SphK1 and SphK2 in the development/progression of hyperproliferative and/or inflammatory diseases. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.005

文献信息

• Sphingoid compounds for prophylaxis and/or therapy of a viral infection
  申请人：Harbins Ruhr Bioscience, Inc.

  公开号：US10688065B2

  公开（公告）日：2020-06-23

  Provided are processes for the prevention or treatment of viral infection in a subject. Some aspects provide administration of a sphingoid compound, optionally sphingosine, an active ingredient that activates generation of a sphingoid base, optionally of sphingosine; or an active agent that inhibits the degradation of a sphingoid base, optionally of sphingosine, to a subject such as a human. By increasing the local concentration of sphingosine in a subject or an area of a subject to which the composition is administered such as the nose or interior of the nose or portion thereof, the ability of viruses to infect the subject or cells thereof is reduced thereby treating of preventing infection by the virus.

  本文提供了预防或治疗受试者病毒感染的方法。某些方面提供了向人等受试者施用鞘氨醇化合物（可选鞘氨醇）、激活生成鞘氨醇基（可选鞘氨醇）的活性成分；或抑制鞘氨醇基（可选鞘氨醇）降解的活性剂。通过增加施用组合物的受试者或受试者的局部（如鼻子或鼻子内部或其部分）的鞘氨醇浓度，可降低病毒感染受试者或其细胞的能力，从而达到预防病毒感染的目的。
• Sphingoid compounds for prophylaxis and/or therapy of coronaviridae infection
  申请人：Harbins Ruhr Bioscience, Inc.

  公开号：US11298412B2

  公开（公告）日：2022-04-12

  Provided are processes for the prevention or treatment of infection by SARS-CoV-2. Some aspects provide administration of a sphingoid compound, optionally sphingosine, an active ingredient that activates generation of a sphingoid base, optionally of sphingosine; or an active agent that inhibits the degradation of a sphingoid base, optionally of sphingosine, to a subject such as a human. By increasing the local concentration of sphingosine in a subject or an area of a subject to which the composition is administered such as the airways, nose or interior of the nose or portion thereof, the ability or SARS-CoV-2 to infect the subject or cells thereof is reduced thereby treating of preventing infection by the virus.

  本文提供了预防或治疗 SARS-CoV-2 感染的方法。某些方面提供了对人等受试者施用鞘氨醇化合物（可选鞘氨醇）、激活鞘氨醇基（可选鞘氨醇）生成的活性成分；或抑制鞘氨醇基（可选鞘氨醇）降解的活性剂。通过增加受试者或受试者施用组合物的部位（如呼吸道、鼻腔或鼻腔内部或其部分）的鞘氨醇的局部浓度，可降低 SARS-CoV-2 感染受试者或其细胞的能力，从而起到预防病毒感染的作用。
• SPHINGOID COMPOUNDS FOR USE IN THE PROPHYLAXIS AND/OR THERAPY OF A VIRAL INFECTION
  申请人：Harbins Ruhr Bioscience, Inc.

  公开号：EP3863616A2

  公开（公告）日：2021-08-18
• SPHINGOID COMPOUNDS FOR PROPHYLAXIS AND/OR THERAPY OF A VIRAL INFECTION
  申请人：Harbins Ruhr Bioscience, Inc.

  公开号：US20200113850A1

  公开（公告）日：2020-04-16

  Provided are processes for the prevention or treatment of viral infection in a subject. Some aspects provide administration of a sphingoid compound, optionally sphingosine, an active ingredient that activates generation of a sphingoid base, optionally of sphingosine; or an active agent that inhibits the degradation of a sphingoid base, optionally of sphingosine, to a subject such as a human. By increasing the local concentration of sphingosine in a subject or an area of a subject to which the composition is administered such as the nose or interior of the nose or portion thereof, the ability of viruses to infect the subject or cells thereof is reduced thereby treating of preventing infection by the virus.
• TARGETING KINASES FOR THE TREATMENT OF CANCER METASTASIS
  申请人：Board of Regents, The University of Texas System

  公开号：US20200197407A1

  公开（公告）日：2020-06-25

  Provided herein are methods for the treatment of brain metastasis by administering a kinase inhibitor targeted to a metastasis-promoting kinase identified by an in vivo kinase screen.