3-(4-Benzyloxybenzyl)-1,3-dihydro-1-hydroxyimidazol-2-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-Benzyloxybenzyl)-1,3-dihydro-1-hydroxyimidazol-2-one
• 英文别名: 1-Hydroxy-3-[(4-phenylmethoxyphenyl)methyl]imidazol-2-one
• 化学式: C₁₇H₁₆N₂O₃
• 分子量: 296.326
• InChiKey: PVFQVZYLEROKBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  53
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Aryl derivatives
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0196184A2

  公开（公告）日：1986-10-01

  Novel compounds of formula (I) wherein:- k,p and q are independently 0 or 1, provided that when k is 1 then p must also be 1; Ar represents either: (i) naphthyl, tetrahydronaphthyl or pyridyl, any of which is optionally substituted by one or more substituents independently selected from C1-4 alkyl (which may itself optionally be substituted by one or more halogen atoms); C1-4 alkoxy, halo, nitro, amino, carboxy, C1-4 alkoxycarbonyl and hydroxy, or (ii) phenyl optionally substituted by one or more substituents independently selected from phenyl (optionally substituted by one or more substituents independently selected from those specified as optional substituents in (i) above) and said optional substituents specified in (i) above; L is selected from -(CH2)r-(where r is 1-4), -0-, -CH20-, -CH2S-, -OCH2-, -CONH-, -NHCO-, -CO-and -CH2NH-, and, Ar' represents phenylene, thienylene or pyridylene, any of which may be optionally substituted by one or more substituents independently selected from those specified as optional substituents in definition (i) of Ar; X represents oxygen, sulphur or carbonyl, provided that at least one atom separates said carbonyl group from any carbonyl group in Q as defined below; Y is C1-10 alkylene or C1-10 alkenylene; Q represents a non-cyclic moiety selected from groups of formula in which one of m and n is 0 and the other is 1, and when n is 1 and m is 0, R1 and R2 are independently selected from hydrogen and C1-4 alkyl, with the possibility that R2 can also be G5-7cycloalkyl, or when n is 0 and m is 1, R1 is independently selected from hydrogen, C1-4 alkyl, groups as defined for Ar above and groups of formula -COR3 in which R3 is selected from C1-4 alkyl (optionally substituted by a carboxy or C1-4 atkoxycarbonyl group) and groups of formula -N(R4)R5 in which R4 is hydrogen or C1-4 alkyl and R5 represents hydrogen C1-4 alkyl or phenyl optionally substituted by one or more substituents independently selected from those specified as optional substituents in the definition (i) of Ar, and R2 is selected from hydrogen, C1-4 alkyl, amino, C1-4 alkylamino, di-C1-4 alkylamino, C5-7 cycloalkylamino, C5-7 cycloalkyl (C1-4 alkyl) amino, anilino, N-C1-4 alkylanilino and groups as defined for Ar above; or Q represents a cyclic moiety selected from 1-hydroxy-1,3-dihydro-imidazol-2-one and groups of formula in which Z represents a C 2.5 alkylene chain in which one of the carbon atoms may be replaced by a hetero atom; and salts thereof; with the proviso that- when q is 0, k is 0 or 1 and p is 1, Ar is phenyl or naphthyl, either being optionally substituted by one or more substituents as specified in definition (i) of Ar, and X is oxygen or sulphur (in the case when k is 1) Y is C1-10 alkylene and Q represents said non-cyclic moiety as hereinbefore defined in which one of R' and R2 is hydrogen or C1-4 alkyl; then the other of R' and R2 is neither hydrogen nor C1-4 alkyl. Also described are their preparation, compositions containing them and their use.

  式 (I) 的新型化合物 其中：- k、p 和 q 独立地为 0 或 1，条件是当 k 为 1 时，p 也必须为 1； Ar 代表 (i) 萘基、四氢萘基或吡啶基，其中任何一个可任选被一个或多个独立选自 C1-4 烷基（其本身可任选被一个或多个卤素原子取代）、C1-4 烷氧基、卤代、硝基、氨基、羧基、C1-4 烷氧羰基和羟基的取代基取代，或 (ii) 可任选被一个或多个取代基取代的苯基，这些取代基独立选自苯基（可任选 被一个或多个取代基取代，这些取代基独立选自上文(i)中指定的任选取代 基）和上文(i)中指定的任选取代基； L 选自-(CH2)r-(其中 r 为 1-4)、-0-、- 0-、- S-、-O -、-CONH-、-NHCO-、-CO 和- NH-，以及、 Ar'代表亚苯基、亚噻吩或吡啶，其中任一亚苯基、亚噻吩或吡啶可任选被一个或多个取代基取代，这些取代基独立选自 Ar 定义 (i) 中指定为任选取代基的那些取代基； X 代表氧、硫或羰基，条件是至少有一个原子将所述羰基与下文定义的 Q 中的任何羰基隔开； Y 是 C1-10 烯或 C1-10 烯； Q 代表选自如下式基团的非环分子 其中 m 和 n 中的一个为 0，另一个为 1、 当 n 为 1，m 为 0 时，R1 和 R2 独立地选自氢和 C1-4 烷基，R2 也可以是 G5-7 环烷基、 或当 n 为 0，m 为 1 时，R1 独立地选自氢、C1-4 烷基、如上对 Ar 所定义的基团和式-COR3 的基团，其中 R3 选自 C1-4 烷基（任选被羧基或 C1-4 Atkoxycarbonyl 基团取代）和式-N(R4)R5 的基团，其中 R4 为氢或 C1-4 烷基，R5 代表氢 C1-4 烷基或苯基，任选被一个或多个取代基取代，这些取代基独立地选自 Ar 定义 (i) 中指定为任选取代基的那些取代基、 而 R2 选自氢、C1-4 烷基、氨基、C1-4 烷基氨基、二-C1-4 烷基氨基、C5-7 环烷基氨基、C5-7 环烷基（C1-4 烷基）氨基、苯胺基、N-C1-4 烷基苯胺基和上述 Ar 所定义的基团； 或 Q 代表环状分子，选自 1-羟基-1,3-二氢咪唑-2-酮和式中的基团 及其盐类； 但条件是 当 q 为 0，k 为 0 或 1，p 为 1 时，Ar 为苯基或萘基，二者可任选被 Ar 定义 (i) 中规定的一个或多个取代基取代，X 为氧或硫（在 k 为 1 的情况下）Y 为 C1-10 亚烷基，Q 代表前述非环分子，其中 R' 和 R2 之一为氢或 C1-4 烷基； 则 R' 和 R2 中的另一个既不是氢也不是 C1-4 烷基。此外，还介绍了它们的制备方法、含有它们的组合物及其用途。
• US4738986A
  申请人：——

  公开号：US4738986A

  公开（公告）日：1988-04-19
• US4977188A
  申请人：——

  公开号：US4977188A

  公开（公告）日：1990-12-11
• US5036157A
  申请人：——

  公开号：US5036157A

  公开（公告）日：1991-07-30
• [EN] NEW MEDICAL USE
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：WO1990001929A1

  公开（公告）日：1990-03-08

  (EN) The present invention is concerned with combinations comprising a compound of formula (I): Ar-(L-Ar')q-(X)k-(Y)p-Q, which is a hydroxamic acid aryl derivative and a non-steroidal anti-inflammatory drug.(FR) Cette invention concerne des combinaisons comprenant un composé de formule (I): Ar-(L-Ar')q-(X)k-(Y)p-Q, qui est un dérivé d'aryle d'acide hydroxamique et un médicament anti-inflammatoire non stéroïdien.