Imidazo12apyrazine12methoxy4methylsulfoxyphenyl4 | 102387-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡嗪类
• 英文名称: Imidazo12apyrazine12methoxy4methylsulfoxyphenyl4
• 英文别名: 2-(2-methoxy-4-methylsulfinylphenyl)-N-methylimidazo[1,2-a]pyrazin-8-amine
• CAS: 102387-10-0
• 化学式: C₁₅H₁₆N₄O₂S
• 分子量: 316.4
• InChiKey: WKMYBTLZXXWHRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  87.7
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Aryl derivatives of heterobicyclic compounds
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0166609A2

  公开（公告）日：1986-01-02

  The invention relates to use of compounds of formula (I) wherein n is 1, 2 or 3; m is 0, 1, 2 or 3; any one of A', A2 and A3 is nitrogen and the other two are CH; R' groups are independently selected from those specified in (a) and (b) below, namely: (a) cyano, hydroxy, groups of formula -S(O)xRa in which x is 0, 1 or 2 and Ra is a C1-4 alkyl group and groups of formula -ORb in which Rb is allyl or a C1-4 alkyl group, which alkyl group is optionally substituted by one or more radicals selected from halo, C1-4 alkoxy and groups of formula -S(O)xRa in which x and Ra are as defined above; (b) C1-4 alkanoyl, C1-4 alkanoylamino, 2-methyl-1,3-dioxalan-2-yl, sulphamoyl, N-C1-4 alkylsulphamoyl, N, N-di-C1-4 alkylsulphamoyl, C1-4 alkylsulphonyloxy, C1-4 alkylsulphonylamino, aminosulphonyloxy, N-C1-4 alkylaminosulphonyloxy, N,N-di-C1-4 alkylaminosulphonyloxy, ureido, 3-C1-4 alkylureido, 3,3-di-C1-4 alkylureido, aminosulphonylamino, (C1-4 alkylaminosulphonyl)amino, (di-C1-4 alkylaminosulphonyl)-animo, carboxy, carboxylic derivatives (selected from carbamoyl, N-C1-4 alkylcarbamoyl, N, N-di-C1-4 alkylcarbamoyl, carboxylic acid halides, C1-4 alkoxycarbonyl, hydroxy-C1-4 alkoxycarbonyl and hydroxymethylene) and groups of formula -ORc in which Re is a straight or branched aliphatic moiety having 1 to 4 carbon atoms, optionally substituted by one or more radicals independently selected from halo, C1-4 alkoxy and groups of formula -S(O)xRa in which x and Ra are as defined above, provided that R° is not a group as defined for Rb above; R2 is selected from hydrogen, halo, amino, hydroxy, C1-4 alkyl and C1-4 alkoxy; R3 groups are independently selected from halo, carboxy, amino, C1-4 alkylamino hydroxy, C1-4 alkoxy, hydroxy-C1-4 alkoxy, C1-4 alkylthio and C1-4 alkylsulphonyloxy; provided that when R2 is hydrogen and either m is 0 or m is 1 and R3 represents halo, then at least one R' group must be selected from (b) above; and physiologically acceptable salts and/or N-oxides thereof, as inotropic agents, and to pharmaceutical formulations containing them. The invention also includes compounds of formula (I) (including physiologically acceptable salts and/or their N-oxides) perse, with the proviso that when n and m are both 1, and R2 is H, then when A' is nitrogen, A2 and A3 are both CH and R' is a 4-methoxy group, R3 is nota 7-methoxy group, and when A3 is nitrogen and A' and A2 are both CH and R' is a 4-methylsulphonyl group, R3 is not a 6-methoxy group, and processes for their preparation.

  本发明涉及式（I）化合物的用途 其中 n 是 1、2 或 3 m为0、1、2或3； A'、A2 和 A3 中的任一个是氮，另外两个是 CH； R'基团独立地选自下文(a)和(b)中规定的基团，即 (a) 氰基、羟基、式-S(O)xRa 的基团（其中 x 为 0、1 或 2，Ra 为 C1-4 烷基）和式-ORb 的基团（其中 Rb 为烯丙基或 C1-4 烷基，该烷基任选被一个或多个选自卤代、C1-4 烷氧基和式-S(O)xRa 的基团（其中 x 和 Ra 如上所定义）的基团取代；(b) C1-4 烷酰基、C1-4 烷酰氨基、2-甲基-1,3-二氧戊环-2-基、磺酰基、N-C1-4 烷基磺酰基、N, N-二-C1-4 烷基磺酰基、C1-4 烷基磺酰氧基、C1-4 烷基磺酰氨基、氨基磺酰氧基、N-C1-4 烷基氨基磺酰氧基、N、N-二-C1-4 烷基氨基磺酰氧基、脲基、3-C1-4 烷基脲基、3,3-二-C1-4 烷基脲基、氨基磺酰氨基、(C1-4 烷基氨基磺酰基)氨基、(二-C1-4 烷基氨基磺酰基)-氨基、羧基、羧酸衍生物（选自氨基甲酰基N-C1-4烷基氨基甲酰基、N，N-二-C1-4烷基氨基甲酰基、羧基卤化物、C1-4烷氧基羰基、羟基-C1-4烷氧基羰基和羟甲基）和式-ORC的基团，其中Re是具有1至4个碳原子的直链或支链脂肪族分子、可选择被一个或多个独立选自卤代、C1-4 烷氧基和式-S(O)xRa 的基团取代，其中 x 和 Ra 如上文所定义，但 R° 不是上文 Rb 所定义的基团； R2 选自氢、卤代、氨基、羟基、C1-4 烷基和 C1-4 烷氧基； R3 基团独立选自卤代、羧基、氨基、C1-4 烷基氨基羟基、C1-4 烷氧基、羟基-C1-4 烷氧基、C1-4 烷硫基和 C1-4 烷基磺酰氧基； 但当 R2 为氢且 m 为 0 或 m 为 1 且 R3 代表卤素时，则至少有一个 R'基团必须选自上述 (b)； 及其生理上可接受的盐和/或 N-氧化物，作为肌张力剂，以及含有它们的药物制剂。 本发明还包括式（I）化合物（包括生理学上可接受的盐和/或其 N-氧化物），但条件是当 n 和 m 均为 1 且 R2 为 H 时，当 A' 为氮、A2 和 A3 均为 CH 且 R' 为 4-甲氧基时，R3 不是 7-甲氧基；当 A3 为氮、A'和 A2 均为 CH 且 R' 为 4-甲磺酰基时，R3 不是 6-甲氧基，以及它们的制备工艺。
• IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS
  申请人：Zhao Lianyun

  公开号：US20080027063A1

  公开（公告）日：2008-01-31

  In its many embodiments, the present invention provides a novel class of imidazopyrazine compounds as inhibitors of protein and/or checkpoint kinases, methods of preparing such compounds, pharmaceutical compositions including one or more such compounds, methods of preparing pharmaceutical formulations including one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the protein or checkpoint kinases using such compounds or pharmaceutical compositions.
• US7557104B2
  申请人：——

  公开号：US7557104B2

  公开（公告）日：2009-07-07