5-(4-Methoxy-3-nitro-phenyl)-4-(3,4,5-trimethoxy-phenyl)-[1,2,3]thiadiazole | 916165-41-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(4-Methoxy-3-nitro-phenyl)-4-(3,4,5-trimethoxy-phenyl)-[1,2,3]thiadiazole
• 英文别名: 5-(4-Methoxy-3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole
• CAS: 916165-41-8
• 化学式: C₁₈H₁₇N₃O₆S
• 分子量: 403.415
• InChiKey: BGGPYTAMCXWPPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  5-(4-Methoxy-3-nitro-phenyl)-4-(3,4,5-trimethoxy-phenyl)-[1,2,3]thiadiazole 在 溶剂黄146 、 锌 作用下， 反应 2.0h， 生成 2-Methoxy-5-[4-(3,4,5-trimethoxy-phenyl)-[1,2,3]thiadiazol-5-yl]-phenylamine
  参考文献：
  名称：

  Synthesis and activity of Combretastatin A-4 analogues: 1,2,3-thiadiazoles as potent antitumor agents

  摘要：

  A series of 4,5-disubstitute-1,2,3-thiadiazole compounds were designed and synthesized as potent anticancer agents, some of them exhibited excellent in vitro and in vivo inhibitory activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.060
• 作为产物：
  描述：

  dimethyl α-hydroxy-α-(3,4,5-trimethoxyphenyl)methanephosphonate 在 盐酸 、 氯化亚砜 、 potassium tert-butylate 、 对甲苯磺酸 作用下， 以 甲醇 、 乙醇 、 氯仿 、 苯 为溶剂， 反应 26.5h， 生成 5-(4-Methoxy-3-nitro-phenyl)-4-(3,4,5-trimethoxy-phenyl)-[1,2,3]thiadiazole
  参考文献：
  名称：

  Synthesis and activity of Combretastatin A-4 analogues: 1,2,3-thiadiazoles as potent antitumor agents

  摘要：

  A series of 4,5-disubstitute-1,2,3-thiadiazole compounds were designed and synthesized as potent anticancer agents, some of them exhibited excellent in vitro and in vivo inhibitory activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.060

文献信息

• Synthesis and activity of Combretastatin A-4 analogues: 1,2,3-thiadiazoles as potent antitumor agents
  作者：Maojiang Wu、Qiming Sun、Chunhao Yang、Dongdong Chen、Jian Ding、Yi Chen、Liping Lin、Yuyuan Xie

  DOI：10.1016/j.bmcl.2006.11.060

  日期：2007.2

  A series of 4,5-disubstitute-1,2,3-thiadiazole compounds were designed and synthesized as potent anticancer agents, some of them exhibited excellent in vitro and in vivo inhibitory activity. (c) 2006 Elsevier Ltd. All rights reserved.