2-(2,2-diethoxy-ethoxy)-1-methoxy-4-nitrobenzene | 874954-01-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2,2-diethoxy-ethoxy)-1-methoxy-4-nitrobenzene
• 英文别名: 2-(2,2-Diethoxy-ethoxy)-1-methoxy-4-nitro-benzene；2-(2,2-diethoxyethoxy)-1-methoxy-4-nitrobenzene
• CAS: 874954-01-5
• 化学式: C₁₃H₁₉NO₆
• 分子量: 285.297
• InChiKey: HAYYIWQFNVTFLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  82.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(2,2-diethoxy-ethoxy)-1-methoxy-4-nitrobenzene 在 钯 氢气 、 甲醇 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 3-(2,2-Diethoxy-ethoxy)-4-methoxy-phenylamine
  参考文献：
  名称：

  Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors

  摘要：

  该发明涉及式（I）的化合物： 其中R1、R2、L1、X、R3、A、R4、R4'、R4"、R4"'、R5、Y和L2的定义如本文所述，以及其盐和前药，用作蛋白激酶抑制剂，并用于治疗包括其给药的疾病的方法。

  公开号：

  US07759379B2
• 作为产物：
  描述：

  2-甲氧基-5-硝基苯酚 、 2-溴-1,1-二乙氧基乙烷 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 2-(2,2-diethoxy-ethoxy)-1-methoxy-4-nitrobenzene
  参考文献：
  名称：

  Amino cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors

  摘要：

  该发明涉及以下式（I）的新产品： 其中p = 0、1和2； A = 芳基、杂芳基、碳环或杂环； X = 单键、-N(R6)-、-O-、-C(O)-、-S(O)n-、-N(R6)-C(O)-、-N(R6)-C(O)-N(R6')-、-N(R6)-C(S)-N(R6')-、-N(R6)-C(O)O-、-N(R6)-SO2-、-N(R6)-SO2-N(R6')-、-C(O)-N(R6)-、-SO2-NR6-、-C(O)O-； L1 = 烷基、烯烃基、炔烃基、环烷基、苯基、杂芳基； R1 = 氢、烷基、烯基、炔基或环烷基、芳基、杂芳基、芳基烷基、杂芳基烷基；-SO2R9、-C(O)R9；-C(O)OR9、-C(O)NR10R11、-C(S)NR10R11、-SO2NR10R11； R2 = 氢、烷基、烯基、炔基、环烷基，或R1和R2中的任一者与N结合，或NR1R2与L1结合，可能形成含有O、N、S的饱和或不饱和杂环； R3 = 氢；卤素；烷基、烯基、炔基、环烷基、烷氧基、烷二氧基、杂环、芳基和杂芳基，均可选择性取代；S(O)n-烷基；氨基、烷基氨基、二烷基氨基，其中二烷基氨基可选择性与N形成环，均可选择性取代； R4、R4'和R4''= 氢、卤素、烷基、烯基、炔基、环烷基、芳基、杂芳基、氧代基；其中R4、R4'和R4''中的两个可能与C形成可能含有O、N或S的环； L2 = 单键、烷基、烯基、炔基、环烷基、-O-、-NR17-、-C(O)-、SO2； Y = 可能含有O、N或S的N-杂环； R5 = 氢、卤素、烷基、烯基、炔基、环烷基、芳基、芳基烷基、杂芳基、杂芳基烷基；所有这些基团均可选择性取代，这些产品以所有同分异构体形式和盐形式存在，作为药用产品。

  公开号：

  EP1621536A1

文献信息

• Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors
  申请人：Strobel Hartmut

  公开号：US20080004300A1

  公开（公告）日：2008-01-03

  The invention relates to compounds of formula (I): in which R1, R2, L 1 , X, R3, A, R4, R 4 ′, R 4 ″, R 4 ″′, R5, Y and L 2 are as herein defined, salts and prodrugs thereof, to their use as protein kinase inhibitors, and to methods of treating diseases comprising adminstration thereof.

  本发明涉及以下式(I)的化合物： 其中R1、R2、L1、X、R3、A、R4、R4'、R4"、R4"'、R5、Y和L2如本文所定义，以及其盐和前药，用作蛋白激酶抑制剂，并用于治疗包括其在内的疾病的治疗方法。
• NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS
  申请人：Aventis Pharma S.A.

  公开号：EP1773808B1

  公开（公告）日：2011-02-16
• US7759379B2
  申请人：——

  公开号：US7759379B2

  公开（公告）日：2010-07-20
• [EN] NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS<br/>[FR] NOUVEAUX DERIVES D'UREE CYCLIQUE, LEUR PREPARATION, ET LEUR UTILISATION PHARMACEUTIQUE COMME INHIBITEURS DE LA KINASE
  申请人：AVENTIS PHARMA SA

  公开号：WO2006010641A2

  公开（公告）日：2006-02-02

  The invention relates to products of formula (I): in which p = 0, 1 and 2; A = aryl, heteroaryl, carbocycle or heterocycle; X = single bond; -N(R6)-; -NH-alk-; alkylene; -O-; -C(O)-; -S(O)n-; -N(R6)-C(O)-; -NH-CO-alk-, -N(R6)-C(O)-N(R6')-; -N(R6)-C(S)-N(R6')-; -N(R6)-C(O)O-; -N(R6)-SO2-; -N(R6)-SO2-N(R6')-; -C(O)-N(R6)-; -SO2-NR6-; and -C(O)O-; L1 = single bond, alkylene, alkenylene, alkynylene, cycloalkylene, phenylene, heteroarylene; all optionally substituted; R1 = hydrogen, alkyl, alkenyl, alkynyl or cycloalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl; -SO2R9, -C(O)R9; -C(O)OR9,-C(O)NR10R11, -C(S)NR10R11,-SO2NR10R11; R2 = hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, either R1 and R2 with N, or NR1R2 with L1 may form a saturated or unsaturated heterocycle possibly containing O, N, S; R3 = hydrogen; halogen; alkyl, alkenyl, alkynyl, cycloalkyl, alkoxy, alkylenedioxy, heterocycle, aryl and heteroaryl, all optionally substituted; S(O)n-alkyl; amino, alkylamino, dialkylamino, with dialkylamino optionally forming with N a cycle, all optionally substituted; R4, R4' and R4''= hydrogen, halogen, alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heteroaryl, oxo; with two from among R4, R4' and R4'' possibly forming with C a ring possibly containing O, N or S; L2 = single bond, alkylene, alkenylene, alkynylene, cycloalkylene, -O-, -NR17-, -C(O)-, SO2; Y = N-heterocycle possibly containing O, N or S; R5 = hydrogen, halogen, alkyl, alkenyl, alkynyl, cycloalkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl; all these radicals being optionally substituted, these products being in all the isomeric forms and the salts, as medicinal products.
• Amino cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors
  申请人：Aventis Pharma S.A.

  公开号：EP1621536A1

  公开（公告）日：2006-02-01

  The invention relates to novel products of formula (I): in which p = 0, 1 and 2; A = aryl, heteroaryl, carbocycle or heterocycle; X = single bond, -N(R6)-, -O-, -C(O)-, -S(O)n-, -N(R6)-C(O)-, -N(R6)-C(O)-N(R6')-, -N(R6)-C(S)-N(R6')-, -N(R6)-C(O)O-, -N(R6)-SO2-, -N(R6)-SO2-N(R6')-, -C(O)-N(R6)-, -SO2-NR6-, -C(O)O-; L1 = alkylene, alkenylene, alkynylene, cycloalkylene, phenylene, heteroarylene; R1 = hydrogen, alkyl, alkenyl, alkynyl or cycloalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl; -SO2R9, -C(O)R9; -C(O)OR9,-C(O)NR10R11, -C(S)NR10R11,-SO2NR10R11; R2 = hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, either R1 and R2 with N, or NR1R2 with L1 may form a saturated or unsaturated heterocycle possibly containing O, N, S; R3 = hydrogen; halogen; alkyl, alkenyl, alkynyl, cycloalkyl, alkoxy, alkylenedioxy, heterocycle, aryl and heteroaryl, all optionally substituted; S(O)n-alkyl; amino, alkylamino, dialkylamino, with dialkylamino optionally forming with N a cycle, all optionally substituted; R4, R4' and R4''= hydrogen, halogen, alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heteroaryl, oxo; with two from among R4, R4' and R4'' possibly forming with C a ring possibly containing O, N or S; L2 = single bond, alkylene, alkenylene, alkynylene, cycloalkylene, -O-, -NR17-, -C(O)-, SO2; Y = N-heterocycle possibly containing O, N or S; R5 = hydrogen, halogen, alkyl, alkenyl, alkynyl, cycloalkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl; all these radicals being optionally substituted, these products being in all the isomeric forms and the salts, as medicinal products.

  该发明涉及以下式（I）的新产品： 其中p = 0、1和2； A = 芳基、杂芳基、碳环或杂环； X = 单键、-N(R6)-、-O-、-C(O)-、-S(O)n-、-N(R6)-C(O)-、-N(R6)-C(O)-N(R6')-、-N(R6)-C(S)-N(R6')-、-N(R6)-C(O)O-、-N(R6)-SO2-、-N(R6)-SO2-N(R6')-、-C(O)-N(R6)-、-SO2-NR6-、-C(O)O-； L1 = 烷基、烯烃基、炔烃基、环烷基、苯基、杂芳基； R1 = 氢、烷基、烯基、炔基或环烷基、芳基、杂芳基、芳基烷基、杂芳基烷基；-SO2R9、-C(O)R9；-C(O)OR9、-C(O)NR10R11、-C(S)NR10R11、-SO2NR10R11； R2 = 氢、烷基、烯基、炔基、环烷基，或R1和R2中的任一者与N结合，或NR1R2与L1结合，可能形成含有O、N、S的饱和或不饱和杂环； R3 = 氢；卤素；烷基、烯基、炔基、环烷基、烷氧基、烷二氧基、杂环、芳基和杂芳基，均可选择性取代；S(O)n-烷基；氨基、烷基氨基、二烷基氨基，其中二烷基氨基可选择性与N形成环，均可选择性取代； R4、R4'和R4''= 氢、卤素、烷基、烯基、炔基、环烷基、芳基、杂芳基、氧代基；其中R4、R4'和R4''中的两个可能与C形成可能含有O、N或S的环； L2 = 单键、烷基、烯基、炔基、环烷基、-O-、-NR17-、-C(O)-、SO2； Y = 可能含有O、N或S的N-杂环； R5 = 氢、卤素、烷基、烯基、炔基、环烷基、芳基、芳基烷基、杂芳基、杂芳基烷基；所有这些基团均可选择性取代，这些产品以所有同分异构体形式和盐形式存在，作为药用产品。