5-Ethyl-2-hydroxy-4-methoxybenzaldehyde | 76238-97-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-Ethyl-2-hydroxy-4-methoxybenzaldehyde
• CAS: 76238-97-6
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: CDKFANWFBZBYIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-Ethyl-2-hydroxy-4-methoxybenzaldehyde 在 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-(5-Ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanol
  参考文献：
  名称：

  Convenient Synthesis of an Isoxazole Compound, KRIBB3, as an Anticancer Agent

  摘要：

  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.

  DOI：

  10.1080/00397911.2010.546551
• 作为产物：
  描述：

  4-乙基间苯二酚 在 potassium carbonate 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.5h， 生成 5-Ethyl-2-hydroxy-4-methoxybenzaldehyde
  参考文献：
  名称：

  Convenient Synthesis of an Isoxazole Compound, KRIBB3, as an Anticancer Agent

  摘要：

  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.

  DOI：

  10.1080/00397911.2010.546551

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。
• Coumarin derivatives, process for preparing the same and pharmaceutical composition containing the same
  申请人：Kaken Pharmaceutical Co., Ltd.

  公开号：EP0011839A1

  公开（公告）日：1980-06-11

  Coumarin derivatives of the general formula: wherein R is hydrogen atom, an alkyl group or an alkenyl group, R1 is hydrogen atom, an alkyl group, an alkenyl group or an alkoxyl group, and the OR and R1 groups each are substituted at any of the 5,6, and 8 positions of the coumarin ring, and the salt thereof. The compounds are useful as antiallergic agent for preventing and treating allergic diseases.

  通式如下的香豆素衍生物 其中 R 是氢原子、烷基或烯基，R1 是氢原子、烷基、烯基或烷氧基，OR 和 R1 基团分别在香豆素环的 5、6 和 8 位上被取代，以及它们的盐。这些化合物可作为抗过敏剂用于预防和治疗过敏性疾病。
• WO2006/126751
  申请人：——

  公开号：——

  公开（公告）日：——
• US4363812A
  申请人：——

  公开号：US4363812A

  公开（公告）日：1982-12-14
• US7250432B2
  申请人：——

  公开号：US7250432B2

  公开（公告）日：2007-07-31