[1-((11S)-7,8-difluoro(6H,11H-dibenzo[c,f]thiepin-11-yl))-4,6-dioxospiro[1,2,3,9-tetrahydropyridino[1,2-e]pyridazine-3,1’- cyclopropane]-5-yloxy]methyl methoxyformate | 2365473-17-0

• 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: [1-((11S)-7,8-difluoro(6H,11H-dibenzo[c,f]thiepin-11-yl))-4,6-dioxospiro[1,2,3,9-tetrahydropyridino[1,2-e]pyridazine-3,1’- cyclopropane]-5-yloxy]methyl methoxyformate
• 英文别名: Cap-dependent endonuclease-IN-1；[1-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,6-dioxospiro[2H-pyrido[1,2-b]pyridazine-3,1'-cyclopropane]-5-yl]oxymethyl methyl carbonate
• CAS: 2365473-17-0
• 化学式: C₂₇H₂₂F₂N₂O₆S
• 分子量: 540.544
• InChiKey: XNCHLCOISMLPJG-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  11

文献信息

• CAP-DEPENDENT ENDONUCLEASE INHIBITORS
  申请人：Hsu Ming-Chu

  公开号：US20190224198A1

  公开（公告）日：2019-07-25

  Provided is a compound of Formula (I) below, or a pharmaceutically acceptable salt, metabolite, or prodrug thereof: wherein: A 1 is CR 4 or N; A 2 is CR 5 R 6 or NR 7 ; A 3 is CR 5 ′R 6 ′ or NR 7 ′; each of R 1 , R 2 , R 2 ′, R 3 , R 3 ′, R 4 , R 5 , R 5 ′, R 6 , R 6 ′, R 7 , and R 7 ′, independently, is hydrogen, deuterium, halogen, cyano, hydroxyl, carboxyl, amino, formyl, nitro, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 1-6 alkoxy, C 2-6 alkenyloxy, C 1-6 alkylcarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkylamine, C 3-20 carbocyclyl, or C 3-20 heterocyclyl; or R 5 and R 6 , R 5 ′ and R 6 ′, or R 5 and R 5 ′, together with the adjacent atom to which they are each attached, form C 3-10 carbocyclyl or C 3-10 heterocyclyl. Further provided are a method of using the above-described compound, or the pharmaceutically acceptable salt, metabolite, or prodrug thereof for treating influenza and a pharmaceutical composition containing same.

  提供的是下面的化合物公式（I），或其药学上可接受的盐、代谢物或前药：其中：A1是CR4或N；A2是CR5R6或NR7；A3是CR5′R6′或NR7′；R1、R2、R2′、R3、R3′、R4、R5、R5′、R6、R6′、R7和R7′中的每一个独立地是氢、氘、卤素、氰基、羟基、羧基、氨基、甲酰基、硝基、C1-6烷基、C2-6烯基、C2-6炔基、C1-6烷氧基、C2-6烯氧基、C1-6烷基羰基、C1-6烷氧羰基、C1-6烷基胺、C3-20碳环烷基或C3-20杂环烷基；或者R5和R6、R5′和R6′、或R5和R5′，与它们各自连接的相邻原子一起形成C3-10碳环烷基或C3-10杂环烷基。此外，提供了一种使用上述化合物、或其药学上可接受的盐、代谢物或前药治疗流感的方法，以及含有该化合物的药物组合物。
• Cap-dependent endonuclease inhibitors
  申请人：TaiGen Biotechnology Co., Ltd.

  公开号：US10596171B2

  公开（公告）日：2020-03-24

  Provided is a compound of Formula (I) below, or a pharmaceutically acceptable salt, metabolite, or prodrug thereof: wherein: A1 is CR4 or N; A2 is CR5R6 or NR7; A3 is CR5′R6′ or NR7′; each of R1, R2, R2′, R3, R3′, R4, R5, R5′, R6, R6′, R7, and R7′, independently, is hydrogen, deuterium, halogen, cyano, hydroxyl, carboxyl, amino, formyl, nitro, C1-6 alkyl, C2-6 alkenyl, C2-6 alkynyl, C1-6 alkoxy, C2-6 alkenyloxy, C1-6 alkylcarbonyl, C1-6 alkyloxycarbonyl, C1-6 alkylamine, C3-20 carbocyclyl, or C3-20 heterocyclyl; or R5 and R6, R5′ and R6′, or R5 and R5′, together with the adjacent atom to which they are each attached, form C3-10 carbocyclyl or C3-10 heterocyclyl. Further provided are a method of using the above-described compound, or the pharmaceutically acceptable salt, metabolite, or prodrug thereof for treating influenza and a pharmaceutical composition containing same.

  提供的是下式（I）化合物或其药学上可接受的盐、代谢物或原药： 其中A1 是 CR4 或 N； A2 是 CR5R6 或 NR7； A3 是 CR5′R6′ 或 NR7′；R1、R2、R2′、R3、R3′、R4、R5、R5′、R6、R6′、R7 和 R7′各自独立地是氢、氘、卤素、氰基、羟基、羧基、氨基、甲酰基、硝基C1-6烷基、C2-6烯基、C2-6炔基、C1-6烷氧基、C2-6烯氧基、C1-6烷基羰基、C1-6烷氧基羰基、C1-6烷基胺、C3-20碳环烷基或C3-20杂环烷基；或 R5 和 R6，R5′和 R6′，或 R5 和 R5′，连同它们各自连接的相邻原子，形成 C3-10 碳环烷基或 C3-10 杂环烷基。进一步提供了使用上述化合物或其药学上可接受的盐、代谢物或原药治疗流感的方法和含有上述化合物的药物组合物。