4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
• 英文别名: 4-[(5,11-dimethyl-6-oxopyrido[2,3-b][1,4]benzodiazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
• 化学式: C₂₈H₃₂N₆O₃
• 分子量: 500.6
• InChiKey: BUWDXYNETOQBNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  90
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,6-二氯-3-氨基吡啶 在 吡啶 、 tris-(dibenzylideneacetone)dipalladium(0) 、 tin(II) chloride dihdyrate 、 sodium hydride 、 potassium carbonate 、 1-丙基磷酸酐 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基乙酰胺 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 113.0h， 生成 4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
  参考文献：
  名称：

  [EN] DIAZEPANE DERIVATIVES AND USES THEREOF
  [FR] DÉRIVÉS DE DIAZÉPANE ET LEURS UTILISATIONS

  摘要：

  本发明提供了任一式（I）、（II-C）（例如，式（II））和（III）的化合物，以及其药物组合物。据信，任一式（I）、（II-C）和（III）的化合物被认为是溴结构域和/或含溴结构域蛋白（例如，溴和额外末端（BET）蛋白）的结合物。还提供了使用这些化合物和药物组合物的方法、用途和试剂盒，用于抑制溴结构域和/或含溴结构域蛋白的活性（例如，增加活性），并用于治疗和/或预防与溴结构域或含溴结构域蛋白相关的疾病（例如，增殖性疾病、心血管疾病、病毒感染、纤维化疾病、代谢性疾病、内分泌疾病和放射性中毒）。这些化合物、药物组合物和试剂盒也适用于男性避孕。

  公开号：

  WO2015117083A1

文献信息

• Combination therapy of transcription inhibitors and kinase inhibitors
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10702527B2

  公开（公告）日：2020-07-07

  The present disclosure provides combination therapy of a transcription inhibitor and a kinase inhibitor. The combination of the transcription inhibitor and the kinase inhibitor may be useful in treating and/or preventing in a subject a proliferative disease, such as proliferative a disease that is resistant to the transcription inhibitor alone or the kinase inhibitor alone. In certain embodiments, the proliferative disease is a cancer. The combination of the transcription inhibitor and the kinase inhibitor is expected to be synergistic.

  本公开提供了转录抑制剂和激酶抑制剂的组合疗法。转录抑制剂和激酶抑制剂的组合可用于治疗和/或预防受试者的增殖性疾病，如对单独转录抑制剂或单独激酶抑制剂耐药的增殖性疾病。在某些实施方案中，增殖性疾病是癌症。转录抑制剂和激酶抑制剂的组合可望产生协同作用。
• DIAZEPANE DERIVATIVES AND USES THEREOF
  申请人：DANA-FARBER CANCER INSTITUTE, INC.

  公开号：US20160347749A1

  公开（公告）日：2016-12-01

  The present invention provides compounds of any one of Formulae (I), (II-C) (e.g., Formula (II)), and (III), and pharmaceutically compositions thereof. Compounds of any one of Formulae (I), (II-C), and (III) are believed to be binders of bromodomains and/or bromodomain-containing proteins (e.g., bromo and extra terminal (BET) proteins). Also provided are methods, uses, and kits using the compounds and pharmaceutical compositions for inhibiting the activity (e.g., increased activity) of bromodomains and/or bromodomain-containing proteins and for treating and/or preventing in a subject diseases associated with bromodomains or bromodomain-containing proteins (e.g., proliferative diseases, cardiovascular diseases, viral infections, fibrotic diseases, metabolic diseases, endocrine diseases, and radiation poisoning). The compounds, pharmaceutical compositions, and kits are also useful for male contraception.
• COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20180169097A1

  公开（公告）日：2018-06-21

  The present disclosure provides combination therapy of a transcription inhibitor and a kinase inhibitor. The combination of the transcription inhibitor and the kinase inhibitor may be useful in treating and/or preventing in a subject a proliferative disease, such as proliferative a disease that is resistant to the transcription inhibitor alone or the kinase inhibitor alone. In certain embodiments, the proliferative disease is a cancer. The combination of the transcription inhibitor and the kinase inhibitor is expected to be synergistic.
• US9695172B2
  申请人：——

  公开号：US9695172B2

  公开（公告）日：2017-07-04
• [EN] COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS<br/>[FR] THÉRAPIE D'ASSOCIATION UTILISANT DES INHIBITEURS DE TRANSCRIPTION ET DES INHIBITEURS DE KINASES
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2016201370A1

  公开（公告）日：2016-12-15

  The present disclosure provides combination therapy of a transcription inhibitor and a kinase inhibitor. The combination of the transcription inhibitor and the kinase inhibitor may be useful in treating and/or preventing in a subject a proliferative disease, such as proliferative a disease that is resistant to the transcription inhibitor alone or the kinase inhibitor alone. In certain embodiments, the proliferative disease is a cancer. The combination of the transcription inhibitor and the kinase inhibitor is expected to be synergistic.