3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidin-7-amine | 900874-91-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• 英文别名: T-00127-HEV1；3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• CAS: 900874-91-1
• 化学式: C₂₂H₂₉N₅O₃
• 分子量: 411.504
• InChiKey: RITGMCAEZVMEQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  73.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(2-氨基乙基)吗啉 、 7-chloro-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以89%的产率得到3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidin-7-amine
  参考文献：
  名称：

  Highly Selective Phosphatidylinositol 4-Kinase IIIβ Inhibitors and Structural Insight into Their Mode of Action

  摘要：

  Phosphatidylinositol 4-kinase III beta is a cellular lipid kinase pivotal to pathogenesis of various RNA viruses. These viruses hijack the enzyme in order to modify the structure of intracellular membranes and use them for the construction of functional replication machinery. Selective inhibitors of this enzyme are potential broad-spectrum antiviral agents, as inhibition of this enzyme results in the arrest of replication of PI4K III beta-dependent viruses. Herein, we report a detailed study of novel selective inhibitors of PI4K III beta, which exert antiviral activity against a panel of single-stranded positive-sense RNA viruses. Our crystallographic data show that the inhibitors occupy the binding site for the adenine ring of the ATP molecule and therefore prevent the phosphorylation reaction.

  DOI：

  10.1021/acs.jmedchem.5b00499

文献信息

• PI4-KINASE INHIBITORS WITH ANTI-CANCER ACTIVITY
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：EP3908577A1

  公开（公告）日：2021-11-17
• NOVEL ANTIVIRAL THERAPIES
  申请人：Niklovir AB

  公开号：EP3989971A1

  公开（公告）日：2022-05-04
• Autoimmune and Inflammatory Disorder Therapy
  申请人：Herman Jean

  公开号：US20140294870A1

  公开（公告）日：2014-10-02

  Compounds that bind to phosphatidylinositol-4-kinase IIIβ (PI4KIIIβ) and inhibit the binding of PI4KIIIβ to its substrate and/or inhibit PI4KIIIβ activity may be used in the treatment and/or prevention of an autoimmune or inflammatory disorder, or organ or cell transplant rejection. A new assay for identifying compounds for use in treating and/or preventing those pathological conditions, which comprises measuring the inhibition of PI4KIIIβ activity, is also disclosed.
• US9301961B2
  申请人：——

  公开号：US9301961B2

  公开（公告）日：2016-04-05
• [EN] AUTOIMMUNE AND INFLAMMATORY DISORDER THERAPY<br/>[FR] THÉRAPIE DE TROUBLES AUTO-IMMUN ET INFLAMMATOIRE
  申请人：UNIV LEUVEN KATH

  公开号：WO2013034738A1

  公开（公告）日：2013-03-14

  Compounds that bind to phosphatidylinositol-4-kinase ΙIIβ (ΡΙ4ΚΙΙΙβ) and inhibit the binding of ΡΙ4ΚΙIIβ to its substrate and/or inhibit ΡΙ4ΚΙΙΙβ activity may be used in the treatment and/or prevention of an autoimmune or inflammatory disorder, or organ or cell transplant rejection. A new assay for identifying compounds for use in treating and/or preventing those pathological conditions, which comprises measuring the inhibition of ΡΙ4ΚΙΙΙβ activity, is also disclosed.