7-((R)-sec-butoxy)-2-{4-[(1-butyryl-piperidin-4-ylmethyl)-methyl-amino]-phenyl}-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-one | 1313361-72-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 7-((R)-sec-butoxy)-2-{4-[(1-butyryl-piperidin-4-ylmethyl)-methyl-amino]-phenyl}-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-one
• 英文别名: 2-[4-[(1-butanoylpiperidin-4-yl)methyl-methylamino]phenyl]-7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-1,4-dihydroisoquinolin-3-one
• CAS: 1313361-72-6
• 化学式: C₃₇H₄₆ClN₃O₄
• 分子量: 632.243
• InChiKey: NPKXDNQKQFTRBW-JWPKJQAESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  45
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  62.3
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Substituted Isoquinolinones and Quinazolinones
  申请人：BERGHAUSEN Joerg

  公开号：US20110230457A1

  公开（公告）日：2011-09-22

  The invention relates to substituted nitrogen containing bicyclic heterocycles of the formula (I) wherein Z is CH 2 or N—R 4 and X, R 1 , R 2 , R 4 , R 6 , R 7 and n are as defined in the description. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of MDM2 and/or MDM4, or variants thereof.

  这项发明涉及公式（I）中的取代氮含有的双环杂环化合物，其中Z为CH2或N—R4，X、R1、R2、R4、R6、R7和n的定义如描述中所述。这类化合物适用于治疗由MDM2和/或MDM4的活性介导的疾病或疾病变体。
• NOVEL TLR4 INHIBITORS FOR THE TREATMENT OF HUMAN INFECTIOUS AND INFLAMMATORY DISORDERS
  申请人：System of Higher Education University of Pittsburgh - of the Commonwealth

  公开号：US20130281395A1

  公开（公告）日：2013-10-24

  The present invention relates to methods of treating infectious, inflammatory and post-traumatic disorders by administering various compounds newly discovered to have TLR4 inhibitory activity. In addition to methods of treatment, the present invention further provides for pharmaceutical compositions comprising said compounds, together with a suitable pharmaceutical carrier. Because TLR4 is the most upstream receptor in the pro-inflammatory LPS signaling cascade, treatments of the invention, which inhibit or antagonize TLR4 action, may avoid the pitfalls associated with other cytokine inhibitors that act further down the pathway and accordingly play a less specific (and perhaps non-critical) role.

  本发明涉及通过给予新发现具有TLR4抑制活性的各种化合物来治疗感染性、炎症性和创伤后疾病的方法。除了治疗方法外，本发明还提供了包括所述化合物在内的药物组合物，以及适当的药物载体。由于TLR4是促炎性LPS信号级联中最上游的受体，本发明的治疗方法可以通过抑制或拮抗TLR4的作用来避免与其他细胞因子抑制剂相关的缺陷，这些细胞因子抑制剂作用于信号通路中较下游的位置，因此起到了不太特异（也许是非关键）的作用。
• SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES
  申请人：Novartis AG

  公开号：US20130281473A1

  公开（公告）日：2013-10-24

  The invention relates to substituted nitrogen containing bicyclic heterocycles of the formula (I) wherein Z is CH 2 or N—R 4 and X, R 1 , R 2 , R 4 , R 6 , R 7 and n are as defined in the description. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of MDM2 and/or MDM4, or variants thereof.

  本发明涉及式(I)的取代氮含杂环的双环杂环化合物，其中Z是CH2或N-R4，X，R1，R2，R4，R6，R7和n的定义如说明书中所定义。这类化合物适用于治疗由MDM2和/或MDM4的活性或其变异体介导的疾病或疾病。
• TLR4 inhibitors for the treatment of human infectious and inflammatory disorders
  申请人：University of Pittsburgh—of the Commonwealth System of Higher Education

  公开号：US10300083B2

  公开（公告）日：2019-05-28

  The present invention relates to methods of treating infectious, inflammatory and post-traumatic disorders by administering various compounds newly discovered to have TLR4 inhibitory activity. In addition to methods of treatment, the present invention further provides for pharmaceutical compositions comprising said compounds, together with a suitable pharmaceutical carrier. Because TLR4 is the most upstream receptor in the pro-inflammatory LPS signaling cascade, treatments of the invention, which inhibit or antagonize TLR4 action, may avoid the pitfalls associated with other cytokine inhibitors that act further down the pathway and accordingly play a less specific (and perhaps non-critical) role.

  本发明涉及通过施用新发现的具有 TLR4 抑制活性的各种化合物来治疗感染性、炎症性和创伤后疾病的方法。除了治疗方法外，本发明还进一步提供了包含上述化合物的药物组合物以及合适的药物载体。由于 TLR4 是促炎性 LPS 信号转导级联中最上游的受体，本发明的治疗方法可抑制或拮抗 TLR4 的作用，从而避免与其他细胞因子抑制剂相关的陷阱，这些细胞因子抑制剂作用于更下游的通路，因此发挥的作用不那么特异（也许不那么关键）。
• US8440693B2
  申请人：——

  公开号：US8440693B2

  公开（公告）日：2013-05-14