3-苄氧基-4-甲氧基-6-硝基苯甲酸 | 61948-83-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-苄氧基-4-甲氧基-6-硝基苯甲酸
• 英文名称: 5-Ethoxy-4-methoxy-2-nitrobenzoate
• CAS: 61948-83-2
• 化学式: C10H10NO6-
• 分子量: 240.19
• InChiKey: HVTHICJFQQKQDW-UHFFFAOYSA-M

物化性质

• 熔点：
  213-214 °C
• 沸点：
  416.5±45.0 °C(Predicted)
• 密度：
  1.352±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2918990090

文献信息

• [EN] SUBSTITUTED 3-CYANO QUINOLINES<br/>[FR] 3-CYANO QUINOLINES SUBSTITUEES
  申请人：AMERICAN CYANAMID COMPANY

  公开号：WO1998043960A1

  公开（公告）日：1998-10-08

  (EN) This invention provides compounds having formula (1), wherein: X is cycloalkyl which may be optionally substituted; or is a pyridinyl, pyrimidinyl, or phenyl ring; wherein the pyridinyl, pyrimidinyl, or phenyl ring may be optionally substituted; n is 0-1; Y is -NH-, -O-, -S-, or -NR-; R is alkyl of 1-6 carbon atoms; R1, R2, R3 and R4 are each, independently, hydrogen, halogen, alkyl, alkenyl, alkynyl, alkenyloxy, alkynyloxy, hydroxymethyl, halomethyl, alkanoyloxy, alkenoyloxy, alkynoyloxy, alkanoyloxymethyl, alkenoyloxymethyl, alkynoyloxymethyl, alkoxymethyl, alkoxy, alkylthio, alkylsulphinyl, alkylsulphonyl, alkylsulfonamido, alkenylsulfonamido, alkynylsulfonamido, hydroxy, trifluoromethyl, cyano, nitro, carboxy, carboalkoxy, carboalkyl, phenoxy, phenyl, thiophenoxy, benzyl, amino, hydroxyamino, alkoxyamino, alkylamino, dialkylamino, aminoalkyl, N-alkylaminoalkyl, N,N-dialkylaminoalkyl, phenylamino, benzylamino, formulae (a, b, c, d, e, f, g, h, i, j, k, l, m, n, o, p, q or r); R5 is alkyl which may be optionally substituted, or phenyl which may be optionally substituted; R6 is hydrogen, alkyl, or alkenyl; R7 is chloro or bromo; R8 is hydrogen, alkyl, aminoalkyl, N-alkylaminoalkyl, N,N-dialkylaminoalkyl, N-cycloalkylaminoalkyl, N-cycloalkyl-N-alkylaminoalkyl, N,N-dicycloalkylaminoalkyl, morpholino-N-alkyl, piperidino-N-alkyl, N-alkyl-piperidino-N-alkyl, azacycloalkyl-N-alkyl, hydroxyalkyl, alkoxyalkyl, carboxy, carboalkoxy, phenyl, carboalkyl +, chloro, fluoro, or bromo; Z is amino, hydroxy, alkoxy, alkylamino, dialkylamino, morpholino, piperazino, N-alkylpiperazino, or pyrrolidino; m = 1-4, q = 1-3, and p = 0-3; any of the substituents R1, R2, R3 or R4 that are located on contiguous carbon atoms can together be the divalent radical -O-C(R8)2-O-; or a pharmaceutically acceptable salt thereof with the proviso that when Y is -NH-, R1, R2, R3 and R4 are hydrogen, and n is O, X is not 2-methylphenyl, which are inhibitors of protein tyrosine kinase.(FR) L'invention porte sur des composés inhibiteurs de la protéine thyrosine kinase de la formule (i) dans laquelle: X est cycloalkyle facultativement substitué ou pyridinyle, pyrimidinyle ou cyclophényle quand le cycle pyridinyle, pyrimidinyle, ou phényle est facultativement substitué; n est 0-1; Y est -NH-, -O-, -S-, ou -NR-; R est alkyle C1-6; R1, R2, R3 et R4 sont chacun indépendamment hydrogène, halogène, alkyle, alkenyle, alcynyle, alcenyloxy, alcynyloxy, hydroxyméthyle, halométhyle, alcanaoyloxy, alcenoyloxy, alkynoyloxy, alkanoyloxyméthyle, alkenoyloxyméthyle, alkynoyloxyméthyle, alkoxyméthyle, alkoxy, alkylthio, alkylsulphinyle, alkylsulphonyle, alkylsulfonamido, alcenylsulfonamido, alcynylsulfonamido, hydroxy, trifluorométhlye, cyano, nitro, carboxy, carboalkoxy, carboalkyle, phénoxy, phenyl, thiophenoxy, benzyle, amino, hydroxyamino, alkoxyamino, alkylamino, dialkylamino, aminoalkyle, N-alkylaminoalkyle, N,N-dialkylaminoalkyle, phénylamino, benzylamino, des formules (a, b, c, d, e, f, g, h, i, j, k, l, m, n, o, p, q ou r). R5 est alkyle facultativement substitué ou phényle facultativement substitué; R6 est hydrogène, alkyle, ou alcényle, R7 est chloro ou bromo; R8 est hydrogène, alkyle, aminoalkyle, N-alkylaminoalkyle; N,N-dialkylaminoalkyle, N-cycloalkylaminoalkyle, N-cycloalkyl-N-alkylaminoalkyle, N,N-dicycloalkylaminoalkyle, morpholino-N-alkyle, piperidino-N-alkyle, N-alkyl-piperidino-N-alkyle, azacycloalkyl-N-alkyle, hydroxyalkyle, alkoxyalkyle, carboxy, carboalkoxy, phényl, carboalkyle +, chloro, fluoro ou bromo; Z est amino, hydroxy, alkoxy, alkylamino, dialkylamino, morhpolino, piperazino, N-alkylpiperazino ou pyrrolidino; m = 1-4, q = 1-3 et p = 0-3; tout substituant R1, R2, R3 ou R4 situé sur des atomes de carbone contigus peut simultanément être le radical divalent -O-C(R8)2-O-; ou l'un de leurs sels pharmacocompatibles sous réserve que si Y est -NH-, R1, R2, R3 et R4, soient hydrogène, et que si n est O, X ne soit pas 2-méthylphényle.

  该发明提供了具有式（1）的化合物，其中：X是环烷基，可以选择性地被取代；或是吡啶基，嘧啶基或苯基环；其中，吡啶基，嘧啶基或苯基环可以选择性地被取代；n为0-1；Y为-NH-，-O-，-S-或-NR-；R为1-6个碳原子的烷基；R1、R2、R3和R4各自独立地为氢，卤素，烷基，烯基，炔基，烯氧基，炔氧基，羟甲基，卤甲基，烷酰氧基，烯酰氧基，炔酰氧基，烷酰氧甲基，烯酰氧甲基，炔酰氧甲基，烷氧甲基，烷氧基，烷硫基，烷基磺酰基，烷基磺酰胺基，烯基磺酰胺基，炔基磺酰胺基，羟基，三氟甲基，氰基，硝基，羧基，羧基烷氧基，羧基烷基，苯氧基，苯基，噻吩氧基，苄基，氨基，羟胺基，烷氧胺基，烷基胺基，二烷基胺基，氨基烷基，N-烷基氨基烷基，N，N-二烷基氨基烷基，苯基氨基，苄基氨基，式（a，b，c，d，e，f，g，h，i，j，k，l，m，n，o，p，q或r）；R5是可以选择性取代的烷基或苯基；R6是氢，烷基或烯基；R7是氯或溴；R8是氢，烷基，氨基烷基，N-烷基氨基烷基，N，N-二烷基氨基烷基，N-环烷基氨基烷基，N-环烷基-N-烷基氨基烷基，N，N-二环烷基氨基烷基，吗啉-N-烷基，哌啶-N-烷基，N-烷基-哌啶-N-烷基，氮杂环烷基-N-烷基，羟基烷基，烷氧基烷基，羧基，羧基烷氧基，苯基，羧基烷基+，氯，氟或溴；Z为氨基，羟基，烷氧基，烷基胺基，二烷基胺基，吗啉基，哌嗪基，N-烷基哌嗪基或吡咯烷基；m = 1-4，q = 1-3，p = 0-3；任何位于相邻碳原子上的R1、R2、R3或R4取代基可以一起成为二价基团-O-C（R8）2-O-；或其药学上可接受的盐，但当Y为-NH-，R1，R2，R3和R4为氢，n为O时，X不是2-甲基苯基，这些化合物是蛋白酪氨酸激酶的抑制剂。
• SUBSTITUTED 3-CYANO QUINOLINES
  申请人：American Cyanamid Company

  公开号：EP0973746A1

  公开（公告）日：2000-01-26