2-(4-ethyl-2-pyridyl)-1H-imidazole

• 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: 2-(4-ethyl-2-pyridyl)-1H-imidazole
• 英文别名: 4-ethyl-2-(1H-imidazol-2-yl)pyridine；2-(4-Ethyl-2-pyridyl)-1H-imidazole
• 化学式: C₁₀H₁₁N₃
• 分子量: 173.217
• InChiKey: OUJMVVWGIGNJER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-ethyl-2-pyridyl)-1H-imidazole 在 potassium carbonate 、 一水合肼 、 三氯氧磷 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 60.0h， 生成 2-(1-((5-((4-chlorophenoxy)methyl)-1,3,4-oxadiazol-2-yl)methyl)-1H-imidazol-2-yl)4-ethylpyridine
  参考文献：
  名称：

  Imidazole clubbed 1,3,4-oxadiazole derivatives as potential antifungal agents

  摘要：

  A series of compounds in which 2-(4-ethyl-2-pyridyl)-1H-imidazole was clubbed with substituted 1,3,4-oxadiazole was synthesized and subjected to antifungal activity evaluation. In vitro assays indicated that several clubbed derivatives had excellent antifungal activity against different strains of laboratory and clinically isolated Candida species. Structural Activity Relationship (SAR) studies revealed that the presence and position of substituents on the phenyl ring of the 1,3,4-oxadiazole unit, guides the antifungal potential of the compounds, where compound 4b, 4c and 4g were found to be active against all the tested fungal strains. Impairment of ergosterol biosynthesis upon the concomitant treatment of 4b, 4c and 4g, revealed the possible mechanisms of antifungal action of these compounds. Inhibitors snugly fitting the active site of the target enzyme, as revealed by molecular docking studies, may well explain their excellent inhibitory activity. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.06.053

文献信息

• Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease
  申请人：Lycera Corporation

  公开号：US10556898B2

  公开（公告）日：2020-02-11

  The invention provides indazolyl thiadiazolamines and related compounds, pharmaceutical compositions, methods of inhibiting Rho-associated protein kinase, and methods of treating inflammatory disorders, immune disorders, fibrotic disorders, and other medical disorders using such compounds. An exemplary indazolyl thiadiazolamine compound is an N-(3-(5-((1H-indazol-5-yl)amino)-1,2,4-thiadiazol-3-yl)phenyl)-heteroaryl-carboxamide compound.

  本发明提供了吲唑基噻二唑胺和相关化合物、药物组合物、抑制Rho相关蛋白激酶的方法，以及使用此类化合物治疗炎症性疾病、免疫性疾病、纤维化疾病和其他疾病的方法。一种示例性的吲唑基噻二唑胺化合物是N-(3-(5-((1H-吲唑-5-基)氨基)-1,2,4-噻二唑-3-基)苯基)-杂芳基甲酰胺化合物。
• INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE
  申请人：Lycera Corporation

  公开号：US20190276447A1

  公开（公告）日：2019-09-12

  The invention provides indazolyl thiadiazolamines and related compounds, pharmaceutical compositions, methods of inhibiting Rho-associated protein kinase, and methods of treating inflammatory disorders, immune disorders, fibrotic disorders, and other medical disorders using such compounds. An exemplary indazolyl thiadiazolamine compound is an N-(3-(5-((1H-indazol-5-yl)amino)-1,2,4-thiadiazol-3-yl)phenyl)-heteroaryl-carboxamide compound.