3,5-Diiod-4-p-methoxyphenoxy-acetophenon | 94064-20-7

• 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: 3,5-Diiod-4-p-methoxyphenoxy-acetophenon
• 英文别名: 1-[3,5-diiodo-4-(4-methoxy-phenoxy)-phenyl]-ethanone；1-[3,5-Dijod-4-(4-methoxy-phenoxy)-phenyl]-aethanon；1-[3,5-Diiodo-4-(4-methoxyphenoxy)phenyl]ethanone
• CAS: 94064-20-7
• 化学式: C₁₅H₁₂I₂O₃
• 分子量: 494.067
• InChiKey: DMUILNPLYMNPHQ-UHFFFAOYSA-N

物化性质

• 熔点：
  138-143 °C
• 沸点：
  480.8±45.0 °C(Predicted)
• 密度：
  1.902±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  3,5-Diiod-4-p-methoxyphenoxy-acetophenon 在 1,4-二氧六环 、 sodium hydroxide 、 碘 、 potassium iodide 作用下， 生成 3,5-diiodo-4-(4-methoxy-phenoxy)-benzoic acid
  参考文献：
  名称：

  150.甲状腺素和有关物质的合成。第九部分 修饰侧链的甲状腺素类似物

  摘要：

  DOI：

  10.1039/jr9520000827
• 作为产物：
  描述：

  3,5-二碘-L-甲状腺素 在 1,4-二氧六环 、 盐酸 、 sodium hydroxide 、 乙醇 、 羟胺 作用下， 生成 3,5-Diiod-4-p-methoxyphenoxy-acetophenon
  参考文献：
  名称：

  150.甲状腺素和有关物质的合成。第九部分 修饰侧链的甲状腺素类似物

  摘要：

  DOI：

  10.1039/jr9520000827

文献信息

• WO2008/30892
  申请人：——

  公开号：——

  公开（公告）日：——
• THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY TO TREAT MALIGNANT TUMORS
  申请人：OCTAMER, INC.

  公开号：EP1024800B1

  公开（公告）日：2002-08-21
• DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF
  申请人：Ossovskaya Valeria

  公开号：US20080076737A1

  公开（公告）日：2008-03-27

  The present invention relates to a computer-assisted method of a designing of a tubulin inhibitor comprising: a) determining an interaction between a tubulin protein and a chemical known to bind the tubulin protein by evaluating a binding of the tubulin protein to the chemical known to bind the tubulin protein; b) based on the interaction, designing a candidate tubulin inhibitor; c) determining an interaction between the tubulin protein and the candidate tubulin inhibitor by evaluating a binding of the tubulin protein to the candidate tubulin inhibitor; and d) concluding that the candidate tubulin inhibitor inhibits the tubulin protein wherein the conclusion is based on the interaction of step c). The invention also provides compositions and methods of treatment of diseases with the candidate tubulin inhibitors.
• Drug design for tubulin inhibitors, compositions, and methods of treatment thereof
  申请人：Ossovskaya Valeria

  公开号：US20090291924A1

  公开（公告）日：2009-11-26

  The present invention relates to a computer-assisted method of a designing of a tubulin inhibitor comprising: a) determining an interaction between a tubulin protein and a chemical known to bind the tubulin protein by evaluating a binding of the tubulin protein to the chemical known to bind the tubulin protein; b) based on the interaction, designing a candidate tubulin inhibitor; c) determining an interaction between the tubulin protein and the candidate tubulin inhibitor by evaluating a binding of the tubulin protein to the candidate tubulin inhibitor; and d) concluding that the candidate tubulin inhibitor inhibits the tubulin protein wherein the conclusion is based on the interaction of step c). The invention also provides compositions and methods of treatment of diseases with the candidate tubulin inhibitors.
• US6303621B1
  申请人：——

  公开号：US6303621B1

  公开（公告）日：2001-10-16