7-(2-amino-pyrimidin-5-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxo-3-quinoline-carboxylic acid | 1426217-21-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-(2-amino-pyrimidin-5-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxo-3-quinoline-carboxylic acid
• 英文别名: 7-(2-Aminopyrimidin-5-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
• CAS: 1426217-21-1
• 化学式: C₁₈H₁₅FN₄O₃
• 分子量: 354.341
• InChiKey: RHCYACQJPXHYSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• QUINOLONE COMPOUND
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：EP3318557A2

  公开（公告）日：2018-05-09

  The present invention provides a compound represented by the formula (I) wherein X is a hydrogen atom or a fluorine atom; R is a hydrogen atom or alkyl; R1 is (1) cyclopropyl optionally substituted by 1 to 3 halogen atoms or (2) phenyl optionally substituted by 1 to 3 halogen atoms; R2 is alkyl, alkoxy, haloalkoxy, a halogen atom, cyano, etc.; and R3 is 7-oxo-7,8-dihydro-1,8-naphthyridinyl, 3-pyridyl, etc., or a salt thereof. The compound of the present invention has excellent antimicrobial activity against Clostridium difficile and is useful for the prevention or treatment of intestinal infection such as Clostridium difficile-associated diarrhea.

  本发明提供了一种由式 (I) 表示的化合物 其中 X 是氢原子或氟原子；R 是氢原子或烷基；R1 是(1)任选被 1 至 3 个卤素原子取代的环丙基或(2)任选被 1 至 3 个卤素原子取代的苯基；R2 是烷基、烷氧基、卤代烷氧基、卤素原子、氰基等；R3 是 7-氧代-7,8-二氢-1,8-萘啶基、3-吡啶基等或其盐。本发明的化合物对艰难梭菌具有优异的抗菌活性，可用于预防或治疗艰难梭菌相关性腹泻等肠道感染。
• NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：EP3836931A1

  公开（公告）日：2021-06-23
• US9440951B2
  申请人：——

  公开号：US9440951B2

  公开（公告）日：2016-09-13
• [EN] NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE<br/>[FR] NOUVEAU MÉDICAMENT POUR LE TRAITEMENT D'UNE MALADIE INTESTINALE INFLAMMATOIRE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2020036154A1

  公开（公告）日：2020-02-20

  The present invention relates to a medicament for treating and/or preventing inflammatory bowel disease, comprising a quinolone compound of the formula shown below as an active ingredient.