1-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-4-imidazolin-2-one | 521092-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-4-imidazolin-2-one
• 英文别名: 3-(4-fluorophenyl)-4-(2-methylsulfinylpyrimidin-4-yl)-1H-imidazol-2-one
• CAS: 521092-16-0
• 化学式: C₁₄H₁₁FN₄O₂S
• 分子量: 318.331
• InChiKey: SQLDNFVIKKFVTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  94.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2-dimethoxy-2-(2-methylsulfanylpyrimidin-4-yl)ethylamine 以 四氢呋喃 、 甲醇 为溶剂， 反应 5.0h， 生成 1-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-4-imidazolin-2-one
  参考文献：
  名称：

  4-IMIDAZOLIN-2-ONE COMPOUNDS AS p38 MAP KINASE INHIBITORS

  摘要：

  公开号：

  EP1439174B1

文献信息

• 4-Imidazolin-2-one compounds
  申请人：——

  公开号：US20040204426A1

  公开（公告）日：2004-10-14

  The present invention relates to a compound of the formula [I]: 1 wherein G 1 is an alkyl which is substituted by a halogen atom or an alkoxy, or a group of the formula: 2 wherein ring B is benzene ring which may be substituted, etc., Q 1 and Q 2 maybe the same or different, and each is hydrogen atom, a halogen atom or an alkyl, n is 0, 1, 2, 3 or 4, R 1 is hydrogen atom, an alkyl which may be substituted, a cycloalkyl which may be substituted, a phenyl which may be substituted, etc., Z 1 , Z 2 , Z 3 and Z 4 may be the same or different, and each is CH or N, provided that 3 or more of Z 1 , Z 2 , Z 3 and Z 4 should not be N at the same time, G 2 is hydrogen atom, —NR 3 R 4 , —OR 5 , etc., where R 3 to R 8 each is independently hydrogen atom, an alkyl which may be substituted, an alkenyl, an alkynyl, etc., or a pharmaceutically acceptable salt thereof.

  本发明涉及一种式为[I]的化合物：1其中G1是被卤素原子或烷氧基取代的烷基，或者是公式2的基团：其中环B是苯环，可以取代等；Q1和Q2可能相同或不同，且每个都是氢原子、卤素原子或烷基；n为0、1、2、3或4；R1是氢原子、可取代的烷基、可取代的环烷基、可取代的苯基等；Z1、Z2、Z3和Z4可能相同或不同，每个都是CH或N，但要求Z1、Z2、Z3和Z4中的3个或更多个不能同时为N；G2是氢原子、—NR3R4、—OR5等，其中R3到R8各自独立地是氢原子、可取代的烷基、烯基、炔基等；或其药学上可接受的盐。
• 4-IMIDAZOLIN-2-ONE COMPOUNDS
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1439174A1

  公开（公告）日：2004-07-21

  The present invention relates to a compound of the formula [I] :    wherein G1 is an alkyl which,may be substituted by a halogen atom or an alkoxy, or a group of the formula:       wherein ring B is benzene ring which may be substituted, etc.,    Q1 and Q2 may be the same or different, and each is hydrogen atom, a halogen atom or an alkyl,    n is 0, 1, 2, 3 or 4,    R1 is hydrogen atom, an alkyl which may be substituted, a cycloalkyl which may be substituted, a phenyl which may be substituted, etc.,    Z1, Z2, Z3 and Z4 may be the same or different, and each is CH or N, provided that 3 or more of Z1, Z2, Z3 and Z4 should not be N at the same time,    G2 is hydrogen atom, -NR3R4, -OR5, etc., where R3 to R8 each is independently hydrogen atom, an alkyl which may be substituted, an alkenyl, an alkynyl, etc., or a pharmaceutically acceptable salt thereof.

  本发明涉及一种式[I]化合物： 其中 G1 是可被卤素原子或烷氧基取代的烷基，或式[I]的基团： 其中环 B 是可被取代的苯环等、 Q1 和 Q2 可以相同或不同，各自为氢原子、卤素原子或烷基、 n 为 0、1、2、3 或 4、 R1 是氢原子、可被取代的烷基、可被取代的环烷基、可被取代的苯基等、 Z1、Z2、Z3 和 Z4 可以相同或不同，且各自为 CH 或 N，但 Z1、Z2、Z3 和 Z4 中的 3 个或 3 个以上不得同时为 N、 G2 是氢原子、-NR3R4、-OR5 等，其中 R3 至 R8 各自独立地是氢原子、可被取代的烷基、烯基、炔基等、 或其药学上可接受的盐。
• EP1628968A4
  申请人：——

  公开号：EP1628968A4

  公开（公告）日：2008-03-05
• US7473695B2
  申请人：——

  公开号：US7473695B2

  公开（公告）日：2009-01-06
• [EN] 4-IMIDAZOLIN-2-ONE COMPOUNDS<br/>[FR] COMPOSES DE 4-IMIDAZOLINE-2-ONE
  申请人：TANABE SEIYAKU CO

  公开号：WO2004094404A1

  公开（公告）日：2004-11-04

  The present invention relates to a compound of the formula [I] wherein G1 is an alkyl which is substituted by a halogen atom or an alkoxy, or a group of the formula [II] wherein ring B is benzene ring which may be substituted, etc., Q1 and Q2 may be the same or different, and each is hydrogen atom, a halogen atom or an alkyl, n is 0, 1, 2, 3 or 4, R1 is hydrogen atom, an alkyl which may be substituted, a cycloalkyl which may be substituted, a phenyl which may be substituted, etc., Z1, Z2, Z3 and Z4 may be the same or different, and each is CH or N, provided that 3 or more of Z1, Z2, Z3 and Z4 should not be N at the same time, G2 is hydrogen atom, -NR3R4, -OR5, etc., where R3 to R8 each is independently hydrogen atom, an alkyl which may be substituted, an alkenyl, an alkynyl, etc., or a pharmaceutically acceptable salt thereof.