(2R)-N²-(3-chloro-4-cyanophenyl)-N⁴-(3-(cyclopropylmethyl)-1-(1,1-difluoropropan-2-yl)-7-fluoro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)morpholine-2,4-dicarboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (2R)-N²-(3-chloro-4-cyanophenyl)-N⁴-(3-(cyclopropylmethyl)-1-(1,1-difluoropropan-2-yl)-7-fluoro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)morpholine-2,4-dicarboxamide
• 英文别名: (2R)-2-N-(3-chloro-4-cyanophenyl)-4-N-[3-(cyclopropylmethyl)-1-(1,1-difluoropropan-2-yl)-7-fluoro-2,4-dioxoquinazolin-6-yl]morpholine-2,4-dicarboxamide
• 化学式: C₂₈H₂₆ClF₃N₆O₅
• 分子量: 619.0
• InChiKey: JLWSYGVAPHBIEI-NLPMCADVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-氯-4-氨基苯腈 在 吡啶 、 盐酸 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 (2R)-N²-(3-chloro-4-cyanophenyl)-N⁴-(3-(cyclopropylmethyl)-1-(1,1-difluoropropan-2-yl)-7-fluoro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)morpholine-2,4-dicarboxamide
  参考文献：
  名称：

  EP3192791

  摘要：

  公开号：

文献信息

• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3192791A1

  公开（公告）日：2017-07-19

  The problem of the present invention is to provide a compound having a superior RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like. The present invention relates to a compound represented by the formula (I): [wherein each symbol is as described in the DESCRIPTION] or a salt thereof, which has an RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like.

  本发明的问题在于提供一种化合物，该化合物具有优异的 RORγt 抑制作用，可用作牛皮癣、炎症性肠病、溃疡性结肠炎、克罗恩病、类风湿性关节炎、多发性硬化症、葡萄膜炎、哮喘、强直性脊柱关节炎、系统性红斑狼疮、慢性阻塞性肺病或类似疾病的预防或治疗药物。本发明涉及一种由式（I）代表的化合物： [其中各符号如说明书所述]或其盐，具有 RORγt 抑制作用，可作为银屑病、炎症性肠病、溃疡性结肠炎、克罗恩病、类风湿性关节炎、多发性硬化症、葡萄膜炎、哮喘、强直性脊柱关节炎、系统性红斑狼疮、慢性阻塞性肺病或类似疾病的预防或治疗剂。
• Heterocyclic compound
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US10000488B2

  公开（公告）日：2018-06-19

  The problem of the present invention is to provide a compound having a superior RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like. The present invention relates to a compound represented by the formula (I): [wherein each symbol is as described in the DESCRIPTION] or a salt thereof, which has an RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like.

  本发明的问题在于提供一种化合物，该化合物具有优异的 RORγt 抑制作用，可用作牛皮癣、炎症性肠病、溃疡性结肠炎、克罗恩病、类风湿性关节炎、多发性硬化症、葡萄膜炎、哮喘、强直性脊柱关节炎、系统性红斑狼疮、慢性阻塞性肺病或类似疾病的预防或治疗药物。本发明涉及一种由式（I）代表的化合物： [其中各符号如说明书所述]或其盐，具有 RORγt 抑制作用，可用作牛皮癣、炎症性肠病、溃疡性结肠炎、克罗恩病、类风湿性关节炎、多发性硬化症、葡萄膜炎、哮喘、强直性脊柱关节炎、系统性红斑狼疮、慢性阻塞性肺病或类似疾病的预防或治疗剂。