2-Bromo-2-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone | 206649-11-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-Bromo-2-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone
• 英文别名: 2-bromo-2-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone
• CAS: 206649-11-8
• 化学式: C₁₈H₁₈BrNO₇
• 分子量: 440.247
• InChiKey: PUSNRSZFHRMWOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  99.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-Bromo-2-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone 在 硫酸 、 亚膦酸 、 sodium carbonate 、 溶剂黄146 、 锌 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-Methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]aniline
  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：

  2-Bromo-2-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)ethanol 在 二甲基亚砜 、 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到2-Bromo-2-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone
  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

文献信息

• Syntheses and antitumor activity of cis-restricted combretastatins: 5-Membered heterocyclic analogues
  作者：Koji Ohsumi、Toshihiro Hatanaka、Koichi Fujita、Ryusuke Nakagawa、Yumiko Fukuda、Yukio Nihei、Yasuyo Suga、Yoshihiro Morinaga、Yukio Akiyama、Takashi Tsuji

  DOI：10.1016/s0960-894x(98)00579-4

  日期：1998.11

  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.