Methanone, [5-chloro-2-(methylamino)phenyl](3,4,5-trimethoxyphenyl)- | 305865-44-5

• 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: Methanone, [5-chloro-2-(methylamino)phenyl](3,4,5-trimethoxyphenyl)-
• 英文别名: [5-chloro-2-(methylamino)phenyl]-(3,4,5-trimethoxyphenyl)methanone
• CAS: 305865-44-5
• 化学式: C₁₇H₁₈ClNO₄
• mdl: MFCD00396259
• 分子量: 335.787
• InChiKey: RHYSABVJUQRRBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-氯-2-硝基苯甲醛 在 重铬酸吡啶 、 铁粉 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 Methanone, [5-chloro-2-(methylamino)phenyl](3,4,5-trimethoxyphenyl)-
  参考文献：
  名称：

  Structure–activity and crystallographic analysis of benzophenone derivatives—the potential anticancer agents

  摘要：

  Compounds 1-5, structurally related to combretastatin A-4 showed excellent cytotoxic activities against a panel of human cancer cell lines including multi-drug resistant cell lines. The X-ray three-dimensional structural analysis shows that proton donor in B ring may be required for cytotoxic activity, with intermolecular hydrogen bonding playing an important role. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00850-8

文献信息

• Structure–activity and crystallographic analysis of benzophenone derivatives—the potential anticancer agents
  作者：Hsing-Pang Hsieh、Jing-Ping Liou、Ying-Ting Lin、Neeraj Mahindroo、Jang-Yang Chang、Yung-Ning Yang、Shuenn-Shing Chern、Uan-Kang Tan、Chun-Wei Chang、Tung-Wei Chen、Chi-Hung Lin、Ying-Ying Chang、Chiung-Chiu Wang

  DOI：10.1016/s0960-894x(02)00850-8

  日期：2003.1

  Compounds 1-5, structurally related to combretastatin A-4 showed excellent cytotoxic activities against a panel of human cancer cell lines including multi-drug resistant cell lines. The X-ray three-dimensional structural analysis shows that proton donor in B ring may be required for cytotoxic activity, with intermolecular hydrogen bonding playing an important role. (C) 2002 Elsevier Science Ltd. All rights reserved.