9-(3-hydroxy-3-methyl-but-1-ynyl)-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile | 1256579-09-5

• 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: 9-(3-hydroxy-3-methyl-but-1-ynyl)-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
• 英文别名: 9-(3-hydroxy-3-methylbut-1-ynyl)-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
• CAS: 1256579-09-5
• 化学式: C₂₅H₂₂N₂O₃
• 分子量: 398.461
• InChiKey: DYZPUIQNURMJLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  86.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-(3-hydroxy-3-methyl-but-1-ynyl)-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以31%的产率得到9-ethynyl-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
  参考文献：
  名称：

  TETRACYCLIC COMPOUND

  摘要：

  一种由下面的一般式（I）表示的化合物，或其盐或溶剂化物，可用作ALK抑制剂，对于伴有ALK异常的疾病的预防或治疗是有用的，例如癌症、癌症转移、抑郁症或认知功能障碍（方程式中包含的符号的含义如规范中所述）。

  公开号：

  US20120083488A1
• 作为产物：
  描述：

  9-bromo-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile 、 甲基丁炔醇 在 双(乙腈)氯化钯(II) 、 caesium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以42%的产率得到9-(3-hydroxy-3-methyl-but-1-ynyl)-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
  参考文献：
  名称：

  COMPOSITION COMPRISING TETRACYCLIC COMPOUND

  摘要：

  由公式（I）代表的物质，药用可接受的载体和溶解助剂组成的组合物，可用于改善具有ALK抑制活性的水溶性差或水不溶的四环化合物的溶解度、口服吸收性和/或血液吸收性，这些化合物可用作癌症、抑郁症和认知功能障碍的预防和/或治疗药物。

  公开号：

  US20130143877A1

文献信息

• TETRACYCLIC COMPOUND
  申请人：Kinoshita Kazutomo

  公开号：US20120083488A1

  公开（公告）日：2012-04-05

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  一种由下面的一般式（I）表示的化合物，或其盐或溶剂化物，可用作ALK抑制剂，对于伴有ALK异常的疾病的预防或治疗是有用的，例如癌症、癌症转移、抑郁症或认知功能障碍（方程式中包含的符号的含义如规范中所述）。
• Tetracyclic compound
  申请人：Kinoshita Kazutomo

  公开号：US09126931B2

  公开（公告）日：2015-09-08

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  以下是一种由通式(I)表示的化合物，或其盐或溶剂化物。该化合物有助于抑制ALK，并且有助于预防或治疗伴随ALK异常的疾病，例如癌症、癌症转移、抑郁症或认知功能障碍。（符号的含义如规范中所述）。
• COMPOSITION CONTAINING TETRACYCLIC COMPOUND
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP2606886A1

  公开（公告）日：2013-06-26

  A composition which comprises substance represented by Formula (I), [Meanings of the symbols that are included in the formula are given in the specification as definitions] a pharmaceutically acceptable carrier, and a dissolution aid.is useful for improving solubility, oral absorbability and/or absorbability in blood of a poorly water-soluble or water insoluble tetracyclic compounds having an ALK inhibitory activity that are useful as a prophylactic and/or therapeutic agent for cancer, depression, and cognitive function disorder.

  一种由式 (I) 所代表的物质组成的组合物、 式（I）代表的物质，[式（I）中包含的符号的含义在说明书中作为定义给出]。 用于改善具有 ALK 抑制活性的水溶性差或不溶于水的四环化合物的溶解度、口服可吸收性和/或血液可吸收性，该化合物可用作癌症、抑郁症和认知功能障碍的预防剂和/或治疗剂。
• TETRACYCLIC COMPOUNDS
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP2975024A1

  公开（公告）日：2016-01-20

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  下式（I）所代表的化合物或其盐或溶液，可作为 ALK 抑制剂，用于预防或治疗伴随 ALK 异常的疾病，例如癌症、癌症转移、抑郁症或认知功能障碍： (式中所含符号的含义与说明书中给出的相同）。
• Composition comprising tetracyclic compound
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：US10646468B2

  公开（公告）日：2020-05-12

  A composition which comprises substance represented by Formula (I), [Meanings of the symbols that are included in the formula are given in the specification as definitions] a pharmaceutically acceptable carrier, and a dissolution aid.is useful for improving solubility, oral absorbability and/or absorbability in blood of a poorly water-soluble or water insoluble tetracyclic compounds having an ALK inhibitory activity that are useful as a prophylactic and/or therapeutic agent for cancer, depression, and cognitive function disorder.

  一种由式 (I) 所代表的物质组成的组合物、 [式中所含符号的含义在本说明书中作为定义给出] 2. 可用于改善具有 ALK 抑制活性的水溶性差或不溶于水的四环化合物的溶解度、口服可吸收性和/或血液可吸收性，该化合物可用作癌症、抑郁症和认知功能障碍的预防和/或治疗药物。