(5-isopropyl-2,3,4-trimethoxyphenyl)phenylmethanone | 1011708-96-5

• 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: (5-isopropyl-2,3,4-trimethoxyphenyl)phenylmethanone
• 英文别名: Phenyl-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanone
• CAS: 1011708-96-5
• 化学式: C₁₉H₂₂O₄
• 分子量: 314.381
• InChiKey: FOWSFXONDUSWQK-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：
  0.32
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-isopropyl-2,3,4-trimethoxyphenyl)phenylmethanone 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到Phenyl[2,3,4-trihydroxy-5-(1-methylethyl)phenyl]methanone
  参考文献：
  名称：

  Acylpyrogallols as Inhibitors of Antiapoptotic Bcl-2 Proteins

  摘要：

  A series of acylpyrogallols were designed, synthesized, and evaluated as small-molecule inhibitors of antiapoptotic Bcl-2 proteins. The most potent compound 9 (TM-179) binds to Bcl-2 with an IC50 of 170 nM and to Mcl-1 with a K-i of 37 nM. Compound 9 potently inhibits cell growth and induces apoptosis in human breast and prostate cancer cell lines.

  DOI：

  10.1021/jm701358v
• 作为产物：
  描述：

  (5-isopropyl-2,3,4-trimethoxyphenyl)phenylmethanol 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以80%的产率得到(5-isopropyl-2,3,4-trimethoxyphenyl)phenylmethanone
  参考文献：
  名称：

  Acylpyrogallols as Inhibitors of Antiapoptotic Bcl-2 Proteins

  摘要：

  A series of acylpyrogallols were designed, synthesized, and evaluated as small-molecule inhibitors of antiapoptotic Bcl-2 proteins. The most potent compound 9 (TM-179) binds to Bcl-2 with an IC50 of 170 nM and to Mcl-1 with a K-i of 37 nM. Compound 9 potently inhibits cell growth and induces apoptosis in human breast and prostate cancer cell lines.

  DOI：

  10.1021/jm701358v

文献信息

• Acylpyrogallols as Inhibitors of Antiapoptotic Bcl-2 Proteins
  作者：Guozhi Tang、Zaneta Nikolovska-Coleska、Su Qiu、Chao-Yie Yang、Jie Guo、Shaomeng Wang

  DOI：10.1021/jm701358v

  日期：2008.2.1

  A series of acylpyrogallols were designed, synthesized, and evaluated as small-molecule inhibitors of antiapoptotic Bcl-2 proteins. The most potent compound 9 (TM-179) binds to Bcl-2 with an IC50 of 170 nM and to Mcl-1 with a K-i of 37 nM. Compound 9 potently inhibits cell growth and induces apoptosis in human breast and prostate cancer cell lines.