6H-thieno-<3,2-f><1,2,4>triazolo<4,3-a><1,4>diazepine | 58066-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烯杂卓类
• 英文名称: 6H-thieno-<3,2-f><1,2,4>triazolo<4,3-a><1,4>diazepine
• 英文别名: 4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine；7-Phenyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
• CAS: 58066-31-2
• 化学式: C₁₄H₁₀N₄S
• 分子量: 266.326
• InChiKey: KTBRVVZLLMZNOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (5-Phenyl-3H-thieno[2,3-e][1,4]diazepin-2-yl)-hydrazine 、 原甲酸三乙酯 以43%的产率得到
  参考文献：
  名称：

  TAHARA T.; ARAKI K.; SHIROKI M.; MATSUO H.; MUNAKATA T., ARZNEIMITTEL-FORSCH., 1978, 28, NO 7, 1153-1158

  摘要：

  DOI：

文献信息

• 2,3-BENZODIAZEPINES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20150203483A1

  公开（公告）日：2015-07-23

  What is described are BET protein-inhibitory, in particular BRD4-inhibitory 2,3-benzodiazepines of the general formula (I) in which R 1a , R 1b , R 1c , R 2 , R 3 , R 4 , R 5 , A and X have the meanings given in the description, intermediates for preparing the compounds according to the invention, pharmaceutical compositions comprising the compounds according to the invention and their prophylactic and therapeutic use for hyperproliferative disorders, in particular for tumour disorders. Also described is the use of BET protein inhibitors for benign hyperplasias, atherosclerotic disorders, sepsis, autoimmune disorders, vascular disorders, viral infections, for neurodegenerative disorders, for inflammatory disorders, for atherosclerotic disorders and for the control of male fertility.

  所描述的是一般式(I)的BET蛋白抑制剂，特别是BRD4抑制剂2,3-苯二氮䓬类化合物，其中R1a、R1b、R1c、R2、R3、R4、R5、A和X的含义如描述所示，用于制备本发明化合物的中间体，包括本发明化合物的药物组合物以及它们在高增殖性疾病，特别是肿瘤疾病的预防和治疗中的用途。还描述了BET蛋白抑制剂用于良性增生、动脉粥样硬化疾病、败血症、自身免疫性疾病、血管疾病、病毒感染、神经退行性疾病、炎症性疾病、动脉粥样硬化疾病和控制男性生育能力。
• BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160129011A1

  公开（公告）日：2016-05-12

  BET-protein-inhibitory, in particular BRD4-inhibitory bicyclo- and spirocyclically substituted 2,3-benzodiazepines of the general formula (I), pharmaceutical compositions comprising the compounds according to the invention, and the prophylactic and therapeutic use thereof for hyperproliferative disorders, especially for tumour disorders, are described. Furthermore, the use of BET protein inhibitors in benign hyperplasias, atherosclerotic disorders, sepsis, autoimmune disorders, vascular disorders, viral infections, in neurodegenerative disorders, in inflammatory disorders, in atherosclerotic disorders and in male fertility control is described.

  BET蛋白抑制剂，特别是BRD4抑制剂，具有一般式(I)的双环和螺环替代的2,3-苯二氮䓬类化合物，以及包含该发明化合物的药物组合物，以及其用于治疗过度增殖性疾病，特别是肿瘤性疾病的预防和治疗方法被描述。此外，描述了BET蛋白抑制剂在良性增生、动脉粥样硬化疾病、败血症、自身免疫疾病、血管疾病、病毒感染、神经退行性疾病、炎症性疾病、动脉粥样硬化疾病和男性生育控制中的用途。
• BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US20170121322A1

  公开（公告）日：2017-05-04

  The present invention relates to BET protein-inhibitory, especially BRD4-inhibitory 3,4-dihydropyrido[2,3-b]pyrazinones with a meta-substituted aromatic amino or ether group of the general formula (I) in which A, X, Y, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and n are each as defined in the description, to pharmaceutical compositions comprising the compounds according to the invention, and to the prophylactic and therapeutic use thereof in the case of hyperproliferative disorders, especially in the case of tumour disorders. Furthermore, this invention relates to the use of BET protein inhibitors in viral infections, in neurodegenerative disorders, in inflammatory diseases, in atherosclerotic disorders and in male fertility control.

  本发明涉及一种具有通式(I)中的meta-取代芳香氨基或醚基的BET蛋白抑制剂，特别是BRD4抑制剂的3,4-二氢吡啶并[2,3-b]吡嗪酮，其中A、X、Y、R1、R2、R3、R4、R5、R6和n如描述中所定义，以及包含根据本发明的化合物的药物组合物，并在高增殖疾病的情况下，特别是在肿瘤疾病的情况下的预防和治疗中的使用。此外，本发明还涉及在病毒感染、神经退行性疾病、炎症性疾病、动脉粥样硬化疾病和男性生育控制中使用BET蛋白抑制剂。
• PYRROLO- AND PYRAZOLO-TRIAZOLODIAZEPINES AS BET-PROTEIN INHIBITORS FOR TREATING HYPERPROLIFERATIVE DISEASES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160009725A1

  公开（公告）日：2016-01-14

  What is described are BET protein-inhibitory, especially BRD2-, BRD3- and BRD4-inhibitory, bicyclo- and spino-substituted pyrrolo- and pyrazolodiazepines of the general formula I in which X, Y, n, m, R 1 , R 2 , R 3 , R 4 and R 5 are each as defined in the description, to intermediates for preparation of the inventive compounds, to pharmaceutical compositions comprising the inventive compounds, and to the prophylactic and therapeutic use thereof for hyperproliferative disorders, especially for tumour disorders. Also described is the use of the compounds according to the invention as BET protein inhibitors for benign hyperplasias, for atherosclerotic disorders, for sepsis, for autoimmune disorders, for vascular disorders, for viral infections, for neurodegenerative disorders, for inflammatory disorders, for atherosclerotic disorders and for male fertility control.

  所描述的是BET蛋白抑制剂，特别是BRD2、BRD3和BRD4抑制剂，其为通式I的双环和螺环取代的吡咯烷和吡唑二氮杂环化合物，其中X、Y、n、m、R1、R2、R3、R4和R5如描述中所定义，以及用于制备本发明化合物的中间体，包含本发明化合物的制药组合物，以及其预防和治疗肿瘤性疾病等增生性疾病的用途。还描述了本发明化合物作为BET蛋白抑制剂用于良性增生、动脉硬化性疾病、败血症、自身免疫性疾病、血管疾病、病毒感染、神经退行性疾病、炎症性疾病、动脉硬化性疾病和男性生育控制的用途。
• 4-SUBSTITUTED PYRROLO- AND PYRAZOLO-DIAZEPINES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20150376196A1

  公开（公告）日：2015-12-31

  BET protein-inhibitory, especially BRD2-, BRD3- and BRD4-inhibitory, 4-substituted pyrrolo- and pyrazolodiazepines of the general formula I are described, in which X, Y, n, m, p, R 1 , R 2 , R 3 , R 4 and R 5 are each as defined in the description, as are pharmaceutical compositions comprising the inventive compounds, and the prophylactic and therapeutic use thereof in the case of hyperproliferative disorders, especially in the case of neoplastic disorders. Also described is the use of the inventive compounds as BET protein inhibitors in benign hyperplasias, in atherosclerotic disorders, in sepsis, in autoimmune disorders, in vascular disorders, in viral infections, in neurodegenerative disorders, in inflammatory disorders and in male fertility control.

  本发明涉及BET蛋白抑制剂，特别是BRD2、BRD3和BRD4抑制剂，以及一般式I的4-取代吡咯烷和吡唑烷二氮杂环化合物，其中X、Y、n、m、p、R1、R2、R3、R4和R5如描述中所定义，以及包含这些化合物的药物组合物，以及在高增殖性疾病，特别是恶性肿瘤疾病的预防和治疗中的预防和治疗用途。本发明还描述了这些创新化合物作为BET蛋白抑制剂在良性增生、动脉粥样硬化性疾病、败血症、自身免疫性疾病、血管障碍、病毒感染、神经退行性疾病、炎症性疾病和男性生育控制中的应用。