2-[5-(2,5-dimethoxyphenyl)-[1,2,4]oxadiazol-3-yl]-pyridine | 814257-96-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[5-(2,5-dimethoxyphenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
• 英文别名: 5-(2,5-Dimethoxyphenyl)-3-(2-pyridyl)-1,2,4-oxadiazole；5-(2,5-dimethoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
• CAS: 814257-96-0
• 化学式: C₁₅H₁₃N₃O₃
• 分子量: 283.287
• InChiKey: JCNIDKOBQNRWEI-UHFFFAOYSA-N

物化性质

• 沸点：
  492.7±55.0 °C(Predicted)
• 密度：
  1.229±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  70.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-吡啶基脒肟 、 2,5-二甲氧基苯甲醛 反应 0.12h， 以77%的产率得到2-[5-(2,5-dimethoxyphenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
  参考文献：
  名称：

  Synthesis anti-inflammatory and anticancer activity evaluation of some pyrazole and oxadiazole derivatives

  摘要：

  Pyrazole derivatives IIa-l have been synthesized by condensation of chalcones Ia-f with hydrazine hydrate and phenyl hydrazine under microwave irradiation in good yields. Oxadiazole derivatives IVa-f have been synthesized by condensation of N'-hydroxypicolinamidine, N'-hydroxy isonicotinamidine, N'-hydroxypyrazine-2-carboxamidine with 2,5 dimethoxybenzaldehyde and 3-methoxy-4-hydroxy benzaldehyde, respectively. Structures assigned to IIa-l and IVa-f are fully supported by correct spectral and analytical data. All compounds (IIa-l & IVa-f) have been screened for anti-inflammatory and anticancer activities. Compounds IIj, IIk, and IVb exhibited good anti-inflammatory activity, while, IIa, c, j, and IVd showed better anticancer activity against four and three cancer cell lines, respectively.

  DOI：

  10.1007/s00044-011-9850-7

文献信息

• Heterocyclic compounds for treating hepatitis C virus
  申请人：Vourloumis Dionisios

  公开号：US20050075375A1

  公开（公告）日：2005-04-07

  The invention is directed to heterocyclic compounds and pharmaceutical compositions of the same for treating Hepatitis C virus.

  这项发明涉及杂环化合物和其制备的药物组合物，用于治疗丙型肝炎病毒。
• [EN] HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS<br/>[FR] COMPOSES HETEROCYCLIQUES POUR TRAITER LE VIRUS DE L'HEPATITE C
  申请人：ANADYS PHARMACEUTICALS INC

  公开号：WO2004110351A2

  公开（公告）日：2004-12-23

  The invention is directed to heterocyclic compounds and pharmaceutical compositions of the same for treating Hepatitis C virus.
• Synthesis anti-inflammatory and anticancer activity evaluation of some pyrazole and oxadiazole derivatives
  作者：Sham M. Sondhi、Sandeep Kumar、Nikhil Kumar、Partha Roy

  DOI：10.1007/s00044-011-9850-7

  日期：2012.10

  Pyrazole derivatives IIa-l have been synthesized by condensation of chalcones Ia-f with hydrazine hydrate and phenyl hydrazine under microwave irradiation in good yields. Oxadiazole derivatives IVa-f have been synthesized by condensation of N'-hydroxypicolinamidine, N'-hydroxy isonicotinamidine, N'-hydroxypyrazine-2-carboxamidine with 2,5 dimethoxybenzaldehyde and 3-methoxy-4-hydroxy benzaldehyde, respectively. Structures assigned to IIa-l and IVa-f are fully supported by correct spectral and analytical data. All compounds (IIa-l & IVa-f) have been screened for anti-inflammatory and anticancer activities. Compounds IIj, IIk, and IVb exhibited good anti-inflammatory activity, while, IIa, c, j, and IVd showed better anticancer activity against four and three cancer cell lines, respectively.