N-[2-(3,5-difluorophenoxy)-1-methylethyl]-N'-[8-(trifluoroacetylamino)isoquinolin-5-yl]urea | 850139-76-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: N-[2-(3,5-difluorophenoxy)-1-methylethyl]-N'-[8-(trifluoroacetylamino)isoquinolin-5-yl]urea
• 英文别名: N-[5-[1-(3,5-difluorophenoxy)propan-2-ylcarbamoylamino]isoquinolin-8-yl]-2,2,2-trifluoroacetamide
• CAS: 850139-76-3
• 化学式: C₂₁H₁₇F₅N₄O₃
• 分子量: 468.383
• InChiKey: QDJVUYRDNHIFEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N-[2-(3,5-difluorophenoxy)-1-methylethyl]-N'-[8-(trifluoroacetylamino)isoquinolin-5-yl]urea 、 三氟乙酸 以 水 、 乙腈 为溶剂， 生成 N-[2-(3,5-difluorophenoxy)-1-methylethyl]-N'-[8-(trifluoroacetylamino)isoquinolin-5-yl]urea trifluoroacetate
  参考文献：
  名称：

  EP1679296

  摘要：

  公开号：
• 作为产物：
  描述：

  8-(trifluoroacetylamino)isoquinolin-5-ylcarbamic acid phenyl ester 、 2-(3,5-difluorophenoxy)-1-methylethylamine hydrochloride 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 0.5h， 生成 N-[2-(3,5-difluorophenoxy)-1-methylethyl]-N'-[8-(trifluoroacetylamino)isoquinolin-5-yl]urea
  参考文献：
  名称：

  EP1679296

  摘要：

  公开号：

文献信息

• Ether derivative
  申请人：Okuzumi Tatsuya

  公开号：US20060270693A1

  公开（公告）日：2006-11-30

  The present invention relates to an ether derivative represented by the formula (I), a pharmaceutically acceptable salt thereof, a hydrate thereof or a solvate thereof wherein each symbol is as defined in the description, and an ether derivative represented by the formula (III), a pharmaceutically acceptable salt thereof, a hydrate thereof or a solvate thereof wherein each symbol is as defined in the description; a pharmaceutical composition containing the ether derivative; and a package containing the pharmaceutical composition and a description of use thereof. A pharmaceutical composition of the present invention, which contains this compound of the present invention has a superior anti-inflammatory and analgesic activity and is useful as various pharmaceutical agents such as an anti-inflammatory agent, an analgesic, a therapeutic agent for inflammatory bowel disease, a therapeutic agent for pollakiuria and/or incontinentia, a therapeutic agent for asthma and the like.

  本发明涉及一种以式(I)表示的醚衍生物，其药学上可接受的盐、水合物或溶剂化物，其中每个符号如描述中所定义的，并且一种以式(III)表示的醚衍生物，其药学上可接受的盐、水合物或溶剂化物，其中每个符号如描述中所定义的；一种含有该醚衍生物的制药组合物；以及一个包含该制药组合物及其使用说明的包装。本发明的制药组合物，包含该化合物具有优异的抗炎和镇痛活性，并且可用作各种药物剂型，如抗炎剂、镇痛剂、治疗炎症性肠病的治疗剂、治疗排尿过频和/或失禁的治疗剂、治疗哮喘等。
• ETHER DERIVATIVE
  申请人：Ajinomoto Co., Inc.

  公开号：EP1679296A1

  公开（公告）日：2006-07-12

  The present invention relates to an ether derivative represented by the formula (I), a pharmaceutically acceptable salt thereof, a hydrate thereof or a solvate thereof wherein each symbol is as defined in the description, and an ether derivative represented by the formula (III), a pharmaceutically acceptable salt thereof, a hydrate thereof or a solvate thereof wherein each symbol is as defined in the description; a pharmaceutical composition containing the ether derivative; and a package containing the pharmaceutical composition and a description of use thereof. A pharmaceutical composition of the present invention, which contains this compound of the present invention has a superior anti-inflammatory and analgesic activity and is useful as various pharmaceutical agents such as an anti-inflammatory agent, an analgesic, a therapeutic agent for inflammatory bowel disease, a therapeutic agent for pollakiuria and/or incontinentia, a therapeutic agent for asthma and the like.

  本发明涉及一种由式（I）表示的醚衍生物、其药学上可接受的盐、其水合物或其溶液 其中各符号如描述中所定义，以及由式（III）表示的醚衍生物、其药学上可接受的盐、其水合物或其溶物 其中各符号在说明中定义；含有醚衍生物的药物组合物；以及含有药物组合物及其使用说明的包装。含有本发明化合物的本发明药物组合物具有优异的抗炎和镇痛活性，可用作各种药物制剂，如抗炎剂、镇痛剂、炎症性肠病治疗剂、花粉尿症和/或失禁治疗剂、哮喘治疗剂等。
• US7728005B2
  申请人：——

  公开号：US7728005B2

  公开（公告）日：2010-06-01
• EP1679296
  申请人：——

  公开号：——

  公开（公告）日：——