N-[2-({[(3-fluorophenyl)amino]carbonothioyl}amino)ethyl]-N'-methylurea | 921225-59-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[2-({[(3-fluorophenyl)amino]carbonothioyl}amino)ethyl]-N'-methylurea
• 英文别名: N-(2-{[(3-Fluorophenyl)carbamothioyl]amino}ethyl)-N'-methylurea；1-[2-[(3-fluorophenyl)carbamothioylamino]ethyl]-3-methylurea
• CAS: 921225-59-4
• 化学式: C₁₁H₁₅FN₄OS
• 分子量: 270.331
• InChiKey: QXOUKNZOXCAACE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  97.3
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[2-({[(3-fluorophenyl)amino]carbonothioyl}amino)ethyl]-N'-methylurea 、 在 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 生成 N-{2-[(Z)-2-[(3-fluorophenyl)imino]-4-[6-(morpholin-4-yl)pyridazinyl]-1,3-thiazol-3(2H)-yl]ethyl}-N'-methylurea
  参考文献：
  名称：

  EP2272844

  摘要：

  公开号：

文献信息

• NOVEL FIVE-MEMBERED RING COMPOUND
  申请人：Fujita Hitoshi

  公开号：US20110034466A1

  公开（公告）日：2011-02-10

  Disclosed is a five-membered ring compound represented by formula (1) or a pharmaceutically acceptable salt thereof. The compound inhibits infiltration of leukocytes including eosinophils and lymphocytes, and is effective as a drug for treating various inflammations. The compound is highly safe and can be administered for a long period. A pharmaceutical product containing the five-membered ring compound or a pharmaceutically acceptable salt thereof is also disclosed. (In the formula, R 1 represents a halogen atom or a phenyl group which may be substituted by a C 1 -C 3 alkyl group or a C 1 -C 3 alkoxy group; R 2 represents a C 1 -C 3 alkylene group which may be substituted by a C 1 -C 3 alkyl group or a carbonyl group; R 3 represents a C 1 -C 3 alkyl group; R 4 and R 5 independently represent a hydrogen atom or a C 1 -C 3 alkyl group, or —N(R 4 )R 5 may represent a morpholino group which may be substituted by a C 1 -C 3 alkyl group; Y 2 represents a C 2 -C 4 alkylene group; and R 6 represents a hydrogen atom, a halogen atom, a C 1 -C 3 alkyl group or a C 1 -C 3 alkoxy group.)

  本发明涉及一种由式（1）表示的五元环化合物或其药学上可接受的盐。该化合物抑制白细胞浸润，包括嗜酸性粒细胞和淋巴细胞，是治疗各种炎症的有效药物。该化合物非常安全，可长期使用。本发明还涉及一种含有该五元环化合物或其药学上可接受的盐的制药产品。（在式中，R1表示卤素原子或苯基，可以被C1-C3烷基或C1-C3烷氧基取代；R2表示C1-C3烷基，可以被C1-C3烷基或羰基取代；R3表示C1-C3烷基；R4和R5独立地表示氢原子或C1-C3烷基，或—N(R4)R5可以表示一个吗啡环基，可以被C1-C3烷基取代；Y2表示C2-C4烷基；R6表示氢原子、卤素原子、C1-C3烷基或C1-C3烷氧基。）
• FIVE-MEMBERED RING COMPOUND
  申请人：Fujita Hitoshi

  公开号：US20110039848A1

  公开（公告）日：2011-02-17

  Provided are: a five-membered ring compound represented by formula (1) or a pharmaceutically acceptable salt thereof; and a medicine containing the compound or salt. The compound or salt inhibits the infiltration of leukocytes such as eosinophils and lymphocytes, is effective as a therapeutic agent for various kinds of inflammation, and is so safe that the compound or salt can be taken for long. In formula (1), R 1 is (substituted) phenyl or pyridyl; R 2 is (substituted) pyrazinediyl, pyrimidinediyl, or pyridazinediyl; R 3 to R 5 each is alkyl (provided that —N(R 4 )R 5 may be morpholino); and Y 2 is alkylene.

  提供的是：由式（1）表示的五元环化合物或其药学上可接受的盐；以及含有该化合物或盐的药物。该化合物或盐抑制白细胞浸润，如嗜酸性粒细胞和淋巴细胞，对各种炎症有效，且安全性高，可长期服用。在式（1）中，R1是（取代）苯基或吡啶基；R2是（取代）吡嗪二基、嘧啶二基或吡嗪二基；R3至R5分别是烷基（但—N（R4）R5可以是吗啡基）；Y2是烷基。