2-benzyloxy-4-methoxy-5-ethylbenzaldehyde | 1268719-17-0

• 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: 2-benzyloxy-4-methoxy-5-ethylbenzaldehyde
• 英文别名: 5-Ethyl-4-methoxy-2-phenylmethoxybenzaldehyde
• CAS: 1268719-17-0
• 化学式: C₁₇H₁₈O₃
• 分子量: 270.328
• InChiKey: WNYNCALDYXCWDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 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：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-benzyloxy-4-methoxy-5-ethylbenzaldehyde 在 四丙基高钌酸铵 、 magnesium 、 N-甲基吗啉氧化物 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 1-(5-Ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone
  参考文献：
  名称：

  Biological evaluation of KRIBB3 analogs as a microtubule polymerization inhibitor

  摘要：

  A series of KRIBB3 analogs were synthesized by modifying substituents at aryl moieties of KRIBB3 for examining structure-activity relationships, and their inhibitory activities on microtubule polymerization were evaluated. The presence of free phenolic hydrogens in aryl moieties of KRIBB3 analogs plays an important role in inhibition of microtubule polymerization. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.044
• 作为产物：
  描述：

  5-ethyl-2,4-dihydroxy-benzaldehyde 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 2-benzyloxy-4-methoxy-5-ethylbenzaldehyde
  参考文献：
  名称：

  WO2006/126751

  摘要：

  公开号：

文献信息

• Pharmaceutical compositions of diaryl-isoxazole derivatives for the prevention and treatment of cancers
  申请人：Kwon Byoung-Mog

  公开号：US20050131036A1

  公开（公告）日：2005-06-16

  The present invention relates to a pharmaceutical composition for the prevention and the treatment of cancers containing diaryl-isoxazole derivatives as an effective ingredient. Diaryl-isoxazole derivatives of the present invention inhibit metastasis of breast cancer cell lines and angiogenesis, so that they can be produced as a metastasis inhibitor and further as a pharmaceutical composition for the prevention and the treatment of angiogenesis related diseases including cancers, rheumatoid arthritis, psoriasis, or angiogenesis diseases caused in eyeball, etc.

  本发明涉及一种包含二芳基异噁唑衍生物作为有效成分的用于预防和治疗癌症的药物组合物。本发明的二芳基异噁唑衍生物抑制乳腺癌细胞系的转移和血管生成，因此可以作为转移抑制剂生产，并进一步作为预防和治疗与血管生成相关疾病的药物组合物，包括癌症、类风湿性关节炎、牛皮癣或眼球内引起的血管生成疾病等。
• Convenient Synthesis of an Isoxazole Compound, KRIBB3, as an Anticancer Agent
  作者：Hyeong Kyu Lee、Eunju Yun、Ji Hye Min、Kab Seog Yoon、Dong-Ho Choung、Sangku Lee

  DOI：10.1080/00397911.2010.546551

  日期：2012.7.1

  A diaryl isoxazole compound, KRIBB3, which exhibits strong antimigratory and antimitotic activities against cancer cells, was prepared in a practical synthetic way. The synthetic method may provide easy access to KRIBB3 analogs with various substituents at an aryl moiety for structure-activity relationships (SAR), as well as a large quantity of KRIBB3 for in vivo studies.
• Synthesis and Biological Evaluation of KRIBB3 Analogues on a Proliferation of HCT-116 Colorectal Cancer Cells
  作者：Sang-Ku Lee、Jae-Nyoung Kim、Ji-Hye Min、Kab-Seog Yoon、Ki-Deok Shin、Byoung-Mog Kwon、Dong-Cho Han

  DOI：10.5012/bkcs.2010.31.12.3800

  日期：2010.12.20
• US7250432B2
  申请人：——

  公开号：US7250432B2

  公开（公告）日：2007-07-31