6,6,9-trimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile | 1256580-26-3

• 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: 6,6,9-trimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
• 英文别名: 6,6,9-trimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
• CAS: 1256580-26-3
• 化学式: C₂₉H₃₂N₄O₂
• 分子量: 468.599
• InChiKey: GXWLTJGZFHXMSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  72.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6,6,9-trimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile 、 甲烷磺酸 在 乙醇 作用下， 以 二甲基亚砜 为溶剂， 以to give 6,6,9-trimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile methane sulfonic acid salt的产率得到6,6,9-trimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile methane sulfonic acid salt
  参考文献：
  名称：

  COMPOSITION COMPRISING TETRACYCLIC COMPOUND

  摘要：

  一种组合物包括公式（I）所代表的物质，[公式中包含的符号的含义在说明书中作为定义给出]一种药学上可接受的载体和一种溶解助剂。该组合物对于改善难溶于水或水不溶性的四环素化合物的溶解度、口服吸收性和/或在血液中的吸收性，具有抗癌、抗抑郁和改善认知功能障碍的预防和/或治疗作用，是有用的。

  公开号：

  US20130143877A1
• 作为产物：
  描述：

  9-bromo-8-(4-cyclobutyl-piperazin-1-yl)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile 、 三甲基环三硼氧烷 、 、 potassium carbonate 、 8-(4-cyclobutyl-piperazin-1-yl)-6,6,9-trimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile 在 氮气 、 水 、 乙酸乙酯 、 氯化钠 、 Sodium sulfate-III 、 silica gel 、 甲醇乙酸乙酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 6,6,9-trimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
  参考文献：
  名称：

  Composition comprising tetracyclic compound

  摘要：

  该组合物包括公式（I）所代表的物质，[公式中包含的符号的含义已在规范中作为定义给出]，一种药学上可接受的载体和一种溶解助剂，用于改善难溶或不溶于水的四环素类化合物的溶解度，口服吸收性和/或在血液中的吸收性，这些化合物具有ALK抑制活性，可用作预防和/或治疗癌症、抑郁症和认知功能障碍的药物。

  公开号：

  US09365514B2

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）。
• COMPOSITION COMPRISING TETRACYCLIC COMPOUND
  申请人：Furumoto Kentaro

  公开号：US20130143877A1

  公开（公告）日：2013-06-06

  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.

  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。
• 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）。
• Diphenylaminopyrimidine and triazine compound, and pharmaceutical composition and use thereof
  申请人：ARROMAX PHARMATECH CO., LTD.

  公开号：US10647694B2

  公开（公告）日：2020-05-12

  A diphenylaminopyrimidine and triazine compound of Formula I, or a pharmaceutically acceptable salt, stereoisomer, hydrate or solvate thereof is disclosed In formula I, A is C or N; X and Y are independently selected from hydrogen, halo, cyano, trifluoromethyl, alkoxy, alkyl, aryl, alkenyl, alkynyl and nitro; or X and Y, together with the atoms to which they are attached, form a phenyl or an heteroaromatic ring; R1 is R2 is CD3 or CD2CD3; R3 is R4 is hydrogen, methyl, trifluoromethyl, cyano or halo; R5 is hydrogen, alkyl, substituted and unsubstituted phenyl, allyl or propargyl; R6 and R7 are independently selected from hydrogen, alkyl, substituted and unsubstituted phenyl, allyl and propargyl; or R6 and R7, together with the nitrogen atom to which they are attached, form a substituted or unsubstituted heterocycloalkyl group. The compound has pharmacodynamic and pharmacokinetic properties and ALK kinase inhibitory activity.

  公开了一种式 I 的二苯基氨基嘧啶和三嗪化合物，或其药学上可接受的盐、立体异构体、水合物或溶剂 在式 I 中，A 是 C 或 N；X 和 Y 独立选自氢、卤代、氰基、三氟甲基、烷氧基、烷基、芳基、烯基、炔基和硝基；或 X 和 Y 与它们所连接的原子一起形成苯基或杂芳环；R1 是 R2 是 CD3 或 CD2CD3； R3 是 R4 是氢、甲基、三氟甲基、氰基或卤代；R5 是氢、烷基、取代和未取代的苯基、烯丙基或丙炔基；R6 和 R7 独立选自氢、烷基、取代和未取代的苯基、烯丙基和丙炔基；或 R6 和 R7 与它们连接的氮原子一起形成取代或未取代的杂环烷基。该化合物具有药效学和药代动力学特性以及 ALK 激酶抑制活性。