4-(3-Chloro-phenyl)-6-[1-(4-chloro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-1-methyl-1H-quinolin-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4-(3-Chloro-phenyl)-6-[1-(4-chloro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-1-methyl-1H-quinolin-2-one
• 英文别名: 4-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-1-methylquinolin-2-one
• 化学式: C₂₈H₂₃Cl₂N₃O
• 分子量: 488.4
• InChiKey: AOAQWAKHGOYQKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Method of use of (imidazol-5-yl)methyl-2-quinolinone derivatives to inhibit smooth muscle cell proliferation
  申请人：——

  公开号：US20040198771A1

  公开（公告）日：2004-10-07

  This invention comprises the use of compounds of formula (I) 1 wherein the dotted line represents an optional bond; X is oxygen or sulfur; R 1 is hydrogen, C 1-12 alkyl, Ar 1 , Ar 2 C 1-6 alkyl, quinolinylC 1-6 alkyl, pyridylC 1-6 alkyl, hydroxyC 1-6 alkyl, C 1-6 alkyloxyC 1-6 alkyl, mono- or di(C 1-6 alkyl)aminoC 1-6 alkyl, aminoC 1-6 alkyl, or a radical of formula —Alk 1 —C(═O)—R 9 , —Alk 1 —S(O)—R 9 or —Alk 1 —S(O) 2 —R 9 ; R 2 , R 3 and R 16 each independently are hydrogen, hydroxy, halo, cyano, C 1-6 alkyl, C 1-6 alkyloxy, hydroxyC 1-6 alkyloxy, C 1-6 alkyloxyC 1-6 alkyloxy, aminoC 1-6 alkyloxy, mono- or di(C 1-6 alkyl)aminoC 1-6 alkyloxy, Ar 1 , Ar 2 C 1-6 alkyl, Ar 2 oxy, Ar 2 C 1-6 alkyloxy, hydroxycarbonyl, C 1-6 alkyloxycarbonyl, trihalomethyl, trihalomethoxy, C 2-6 alkenyl; R 4 and R 5 each independently are hydrogen, halo, Ar 1 , C 1-6 alkyl, hydroxyC 1-6 alkyl, C 1-6 alkyloxyC 1-6 alkyl, C 1-6 alkyloxy, C 1-6 alkylthio, amino, hydroxycarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkylS(O)C 1-6 alkyl or C 1-6 alkylS(O) 2 C 1-6 alkyl; R 6 and R 7 each independently are hydrogen, halo, cyano, C 1-6 alkyl, 4,4-dimethyl-oxazolyl, C 1-6 alkyloxy or Ar 2 oxy; R 8 is hydrogen, C 1-6 alkyl, cyano, hydroxycarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkylcarbonylC 1-6 alkyl, cyanoC 1-6 alkyl, C 1-6 alkyloxycarbonylC 1-6 alkyl, carboxyC 1-6 alkyl, hydroxyC 1-6 alkyl, aminoC 1-6 alkyl, mono- or di(C 1-6 alkyl)aminoC 1-6 alkyl, imidazolyl, haloC 1-6 alkyl, C 1-6 alkyloxyC 1-6 alkyl, aminocarbonylC 1-6 alkyl, or a radical of formula —O—R 10 , —S—R 10 , —N—R 11 R 12 ; R 17 is hydrogen, halo, cyano, C 1-6 alkyl, C 1-6 alkyloxycarbonyl, Ar 1 ; R 18 is hydrogen, C 1-6 alkyl, C 1-6 alkyloxy or halo; R 19 is hydrogen or C 1-6 alkyl; for the manufacture of a medicament to inhibit smooth muscle cell proliferation.

  本发明涉及化合物的使用，其化学式为（I）1，其中虚线代表可选键；X为氧或硫；R1为氢、C1-12烷基、Ar1、Ar2C1-6烷基、喹啉基C1-6烷基、吡啶基C1-6烷基、羟基C1-6烷基、C1-6烷氧基C1-6烷基、单或双（C1-6烷基）氨基C1-6烷基、氨基C1-6烷基，或式为—Alk1—C(═O)—R9、—Alk1—S(O)—R9或—Alk1—S(O)2—R9的基团；R2、R3和R16各自独立地为氢、羟基、卤、氰、C1-6烷基、C1-6烷氧基、羟基C1-6烷氧基、C1-6烷氧基C1-6烷氧基、氨基C1-6烷氧基、单或双（C1-6烷基）氨基C1-6烷氧基、Ar1、Ar2C1-6烷基、Ar2氧基、Ar2C1-6烷氧基、羟基羧基、C1-6烷氧羧基、三卤甲基、三卤甲氧基、C2-6烯基；R4和R5各自独立地为氢、卤、Ar1、C1-6烷基、羟基C1-6烷基、C1-6烷氧基C1-6烷基、C1-6烷氧基、C1-6烷硫基、氨基、羟基羧基、C1-6烷氧羧基、C1-6烷基S（O）C1-6烷基或C1-6烷基S（O）2C1-6烷基；R6和R7各自独立地为氢、卤、氰、C1-6烷基、4,4-二甲基-噁唑基、C1-6烷氧基或Ar2氧基；R8为氢、C1-6烷基、氰、羟基羧基、C1-6烷氧羧基、C1-6烷基羧基C1-6烷基、氰基C1-6烷基、C1-6烷氧羧基C1-6烷基、羧基C1-6烷基、羟基C1-6烷基、氨基C1-6烷基、单或双（C1-6烷基）氨基C1-6烷基、咪唑基、卤基C1-6烷基、C1-6烷氧基C1-6烷基、氨基羧基C1-6烷基，或式为—O—R10、—S—R10、—N—R11R12的基团；R17为氢、卤、氰、C1-6烷基、C1-6烷氧羧基、Ar1；R18为氢、C1-6烷基、C1-6烷氧基或卤；R19为氢或C1-6烷基；用于制造一种抑制平滑肌细胞增殖的药物。
• LOCAL TREATMENT OF NEUROFIBROMAS
  申请人：OncoSynergy, Inc.

  公开号：US20150182452A1

  公开（公告）日：2015-07-02

  A method for treating a neurofibroma, e.g. dermal neurofibroma, a subdermal neurofibroma, or a superficial plexiform neurofibroma, in a subject in need of such treatment is disclosed. The method comprises locally applying a composition to a neurofibroma either topically or intralesionally. This method does not encompass systemic administration of the composition to the subject to have an effect on the neurofibromas. Compositions useful for such treatments and methods of preparing the compositions are disclosed.