ethyl 6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-methyl-1H-pyrazol-4-yl)-1H-indole-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: ethyl 6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-methyl-1H-pyrazol-4-yl)-1H-indole-2-carboxylate
• 英文别名: ethyl 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1-methylpyrazol-4-yl)-1H-indole-2-carboxylate
• 化学式: C₂₆H₂₇Cl₂N₃O₃
• 分子量: 500.4
• InChiKey: CJUPEKNCTNQYAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  69.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 7-bromo-6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-1H-indole-2-carboxylate 、 1-甲基-4-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)-1H-吡唑 、 Dicaesio carbonate 在 四(三苯基膦)钯 crude residue 、 acetonitrile-water 、 乙腈 作用下， 以 乙二醇二甲醚 、 乙醇 为溶剂， 反应 0.42h， 以HPLC (Phenomenex Gemini C18, H2O/CH3CN gradient to 95% CH3CN 0.1% TFA) to give the title compound的产率得到ethyl 6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-methyl-1H-pyrazol-4-yl)-1H-indole-2-carboxylate
  参考文献：
  名称：

  SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS

  摘要：

  本发明提供了一种抑制抗凋亡Bcl-2家族成员髓系细胞白血病-1（Mcl-1）蛋白活性的化合物。本发明还提供了制药组合物以及使用化合物治疗因Mcl-1蛋白过度表达或失调而表现出的疾病和症状（例如癌症）的方法。

  公开号：

  US20150336925A1

文献信息

• Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors
  申请人：VANDERBILT UNIVERSITY

  公开号：US10093640B2

  公开（公告）日：2018-10-09

  The present invention provides for compounds that inhibit the activity of an anti-apoptotic Bcl-2 family member Myeloid cell leukemia-1 (Mcl-1) protein. The present invention also provides for pharmaceutical compositions as well as methods for using compounds for treatment of diseases and conditions (e.g., cancer) characterized by the over-expression or dysregulation of Mcl-1 protein.

  本发明提供了抑制抗凋亡 Bcl-2 家族成员骨髓细胞白血病-1（Mcl-1）蛋白活性的化合物。本发明还提供了药物组合物以及使用化合物治疗以 Mcl-1 蛋白过度表达或失调为特征的疾病和病症（如癌症）的方法。
• Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors
  申请人：Vanderbilt University

  公开号：US10844032B2

  公开（公告）日：2020-11-24

  The present invention provides for compounds that inhibit the activity of an anti-apoptotic Bcl-2 family member Myeloid cell leukemia-1 (Mcl-1) protein. The present invention also provides for pharmaceutical compositions as well as methods for using compounds for treatment of diseases and conditions (e.g., cancer) characterized by the over-expression or dysregulation of Mcl-1 protein.

  本发明提供了抑制抗凋亡 Bcl-2 家族成员骨髓细胞白血病-1（Mcl-1）蛋白活性的化合物。本发明还提供了药物组合物以及使用化合物治疗以 Mcl-1 蛋白过度表达或失调为特征的疾病和病症（如癌症）的方法。
• [EN] SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS<br/>[FR] INHIBITEURS DE LA MCL-1 À BASE DE BENZOFURANE, DE BENZOTHIOPHÈNE ET D'INDOLE SUBSTITUÉS
  申请人：UNIV VANDERBILT

  公开号：WO2014047427A2

  公开（公告）日：2014-03-27

  The present invention provides for compounds that inhibit the activity of an anti-apoptotic Bcl-2 family member Myeloid cell leukemia-1 (Mcl-1) protein. The present invention also provides for pharmaceutical compositions as well as methods for using compounds for treatment of diseases and conditions (e.g., cancer) characterized by the over-expression or dysregulation of Mcl-1 protein.
• SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS
  申请人：VANDERBILT UNIVERSITY

  公开号：US20150336925A1

  公开（公告）日：2015-11-26

  The present invention provides for compounds that inhibit the activity of an anti-apoptotic Bcl-2 family member Myeloid cell leukemia-1 (Mcl-1) protein. The present invention also provides for pharmaceutical compositions as well as methods for using compounds for treatment of diseases and conditions (e.g., cancer) characterized by the over-expression or dysregulation of Mcl-1 protein.

  本发明提供了一种抑制抗凋亡Bcl-2家族成员髓系细胞白血病-1（Mcl-1）蛋白活性的化合物。本发明还提供了制药组合物以及使用化合物治疗因Mcl-1蛋白过度表达或失调而表现出的疾病和症状（例如癌症）的方法。