5-(4-Methoxy-3-nitro-phenyl)-1-(3,4,5-trimethoxy-phenyl)-1H-tetrazole | 206649-19-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-Methoxy-3-nitro-phenyl)-1-(3,4,5-trimethoxy-phenyl)-1H-tetrazole
• 英文别名: 5-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
• CAS: 206649-19-6
• 化学式: C₁₇H₁₇N₅O₆
• 分子量: 387.352
• InChiKey: YBVCKLUWVADYOG-UHFFFAOYSA-N

物化性质

• 沸点：
  587.1±60.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  123.66
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  5-(4-Methoxy-3-nitro-phenyl)-1-(3,4,5-trimethoxy-phenyl)-1H-tetrazole 在 溶剂黄146 、 锌 作用下， 以70%的产率得到2-Methoxy-5-[1-(3,4,5-trimethoxy-phenyl)-1H-tetrazol-5-yl]-phenylamine
  参考文献：
  名称：

  Syntheses and antitumor activity of cis-restricted combretastatins: 5-Membered heterocyclic analogues

  摘要：

  A series of cis-restricted combretastatin analogues with 5-membered heterocycles were synthesized and their inhibitory activity against microtubule assembly and cytotoxic activity against the colon 26 adenocarcinoma cancer cell line were evaluated. Some of the heterocyclic analogues showed potent antitubulin activity and cytotoxicity. Compounds 16 and 35 showed marked tumor growth suppression in the colon 26 murine tumor model. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00579-4
• 作为产物：
  描述：

  在 溶剂黄146 、 sodium nitrite 作用下， 以70%的产率得到5-(4-Methoxy-3-nitro-phenyl)-1-(3,4,5-trimethoxy-phenyl)-1H-tetrazole
  参考文献：
  名称：

  Syntheses and antitumor activity of cis-restricted combretastatins: 5-Membered heterocyclic analogues

  摘要：

  A series of cis-restricted combretastatin analogues with 5-membered heterocycles were synthesized and their inhibitory activity against microtubule assembly and cytotoxic activity against the colon 26 adenocarcinoma cancer cell line were evaluated. Some of the heterocyclic analogues showed potent antitubulin activity and cytotoxicity. Compounds 16 and 35 showed marked tumor growth suppression in the colon 26 murine tumor model. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00579-4