3-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-propenone | 92963-54-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-propenone
• 英文别名: 3-(2,5-Dimethoxyphenyl)-1--propenon；3-(2,5-Dimethoxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
• CAS: 92963-54-7
• 化学式: C₁₆H₁₅NO₃
• 分子量: 269.3
• InChiKey: IVKRWJLYMHWUEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(2,5-dimethoxyphenyl)-1-pyridin-2-yl-propenone 在 一水合肼 作用下， 反应 0.05h， 以83%的产率得到2-[5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-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

• Nicotine receptor ligands
  申请人：Regents of the University of Minnesota

  公开号：US20030027810A1

  公开（公告）日：2003-02-06

  The invention provides nicotine receptor agonists of formula I: 1 wherein R 1 , x, y, and n have any of the values given in the specification, or a pharmaceutically acceptable salt thereof, as well as pharmaceutical compositions comprising such a compound or salt, methods for preparing such a compound or salt, and methods for modulating (e.g. antagonizing or activating) nicotine receptors with such a compound or salt.

  该发明提供了公式I:1中的尼古丁受体激动剂，其中R1、x、y和n可以取规范中给定的任何值，或其药用可接受盐，以及包含这种化合物或盐的药物组合物，制备这种化合物或盐的方法，以及使用这种化合物或盐调节（如拮抗或激活）尼古丁受体的方法。
• US6846817B2
  申请人：——

  公开号：US6846817B2

  公开（公告）日：2005-01-25