methyl 4-[(4-iodophenyl)sulfonylmethylamino]benzoate

• 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: methyl 4-[(4-iodophenyl)sulfonylmethylamino]benzoate
• 英文别名: Methyl 4-[(4-iodophenyl)sulfonyl-methylamino]benzoate
• 化学式: C₁₅H₁₄INO₄S
• 分子量: 431.251
• InChiKey: CHHMFKZWZCRJOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-[(4-iodophenyl)sulfonylmethylamino]benzoate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 lithium aluminium tetrahydride 、 caesium carbonate 、 戴斯-马丁氧化剂 、 溶剂黄146 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 7-fluoro-1-[4-[methyl-[4-(4-methylpiperazin-1-yl)phenyl]sulfonyl-amino]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
  参考文献：
  名称：

  [EN] SMALL MOLECULE INHIBITORS OF THE CRL4 UBIQUITIN LIGASE
  [FR] INHIBITEURS À PETITES MOLÉCULES DE L'UBIQUITINE LIGASE CRL4

  摘要：

  Compounds of formula (I), compounds of formula (II), and compounds of formula (III) are disclosed. Also disclosed are compounds, compositions, and methods to inhibit CUL4A expression or activity, CUL4B expression or activity, and/or DDB1 expression or activity for the treatment or prevention of cancer, DNA damage, or related conditions. In some aspects, the interaction between CUL4A and/or CUL4B and the beta-propeller B of DDB1 is disrupted with the compounds, compositions, or methods.

  公开号：

  WO2023173136A2
• 作为产物：
  描述：

  4-碘苯磺酰氯 在 吡啶 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 生成 methyl 4-[(4-iodophenyl)sulfonylmethylamino]benzoate
  参考文献：
  名称：

  [EN] SMALL MOLECULE INHIBITORS OF THE CRL4 UBIQUITIN LIGASE
  [FR] INHIBITEURS À PETITES MOLÉCULES DE L'UBIQUITINE LIGASE CRL4

  摘要：

  Compounds of formula (I), compounds of formula (II), and compounds of formula (III) are disclosed. Also disclosed are compounds, compositions, and methods to inhibit CUL4A expression or activity, CUL4B expression or activity, and/or DDB1 expression or activity for the treatment or prevention of cancer, DNA damage, or related conditions. In some aspects, the interaction between CUL4A and/or CUL4B and the beta-propeller B of DDB1 is disrupted with the compounds, compositions, or methods.

  公开号：

  WO2023173136A2