2-amino-4-tert-butyl-N-[2-methyl-3-[8-[4-(4-methylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide | 1204428-10-3

• 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-amino-4-tert-butyl-N-[2-methyl-3-[8-[4-(4-methylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
• CAS: 1204428-10-3
• 化学式: C₃₆H₄₀N₈O₂
• 分子量: 616.766
• InChiKey: AUEHQRWELVJHDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-amino-4-tert-butyl-N-[2-methyl-3-[8-[4-(4-methylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide 、 原甲酸三乙酯 在 三氟乙酸 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.66h， 以18%的产率得到7-tert-butyl-3-(2-methyl-3-{8-[4-(4-methyl-piperazine-1-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-3H-quinazolin-4-one
  参考文献：
  名称：

  Inhibitors of bruton's tyrosine kinase

  摘要：

  该应用程序根据通用公式I-V 揭示了6-苯基咪唑并[1,2-a]吡嗪衍生物： 其中，变量Q、R、Y1、Y2、Y3、Y4、n 和m 如本文所述定义，这些衍生物抑制Btk。本文所披露的化合物可用于调节Btk 的活性并治疗与过度Btk 活性相关的疾病。这些化合物进一步可用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还披露了包含公式I-V 化合物和至少一种载体、稀释剂或赋形剂的组合物。

  公开号：

  US20100016302A1
• 作为产物：
  描述：

  [4-[[6-(3-Amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone 、 2-氨基-4-(1,1-二甲基乙基)-苯甲酸 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 2-amino-4-tert-butyl-N-[2-methyl-3-[8-[4-(4-methylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
  参考文献：
  名称：

  Inhibitors of bruton's tyrosine kinase

  摘要：

  该应用程序根据通用公式I-V 揭示了6-苯基咪唑并[1,2-a]吡嗪衍生物： 其中，变量Q、R、Y1、Y2、Y3、Y4、n 和m 如本文所述定义，这些衍生物抑制Btk。本文所披露的化合物可用于调节Btk 的活性并治疗与过度Btk 活性相关的疾病。这些化合物进一步可用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还披露了包含公式I-V 化合物和至少一种载体、稀释剂或赋形剂的组合物。

  公开号：

  US20100016302A1

文献信息

• NOVEL PHENYLIMIDAZOPYRAZINES
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2307418A1

  公开（公告）日：2011-04-13
• Dendritic Polymers With Enhanced Amplification and Interior Functionality
  申请人：Tomalia A. Donald

  公开号：US20070298006A1

  公开（公告）日：2007-12-27

  Dendritic polymers with enhanced amplification and interior functionality are disclosed. These dendritic polymers are made by use of fast, reactive ring-opening chemistry (or other fast reactions) combined with the use of branch cell reagents in a controlled way to rapidly and precisely build dendritic structures, generation by generation, with cleaner chemistry, often single products, lower excesses of reagents, lower levels of dilution, higher capacity method, more easily scaled to commercial dimensions, new ranges of materials, and lower cost. The dendritic compositions prepared have novel internal functionality, greater stability (e.g., thermal stability and less or no reverse Michael's reaction), and reach encapsulation surface densities at lower generations. Unexpectedly, these reactions of polyfunctional branch cell reagents with polyfunctional cores do not create cross-linked materials. Such dendritic polymers are useful as demulsifiers for oil/water emulsions, wet strength agents in the manufacture of paper, proton scavengers, polymers, nanoscale monomers, calibration standards for electron microscopy, making size selective membranes, and agents for modifying viscosity in aqueous formulations such as paint. When these dendritic polymers have a carried material associated with their surface and/or interior, then these dendritic polymers have additional properties for carrying materials due to the unique characteristics of the dendritic polymer, such as for drug delivery, transfection, and diagnostics.
• US8426409B2
  申请人：——

  公开号：US8426409B2

  公开（公告）日：2013-04-23
• [EN] NOVEL PHENYLIMIDAZOPYRAZINES<br/>[FR] NOUVELLES PHÉNYLIMIDAZOPYRAZINES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010006970A1

  公开（公告）日：2010-01-21

  6-Phenyl-imidazo[l,2-a]pyrazine derivatives according to generic Formulae I-V: wherein variables Q, R, Y1, Y2, Y3, Y4, n, and m are defined as described herein, which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation such as rheumatoid arthritis. Also disclosed are compositions comprising compounds of Formulae I-V and at least one carrier, diluent or excipient.
• Inhibitors of bruton's tyrosine kinase
  申请人：Kondru Rama K.

  公开号：US20100016302A1

  公开（公告）日：2010-01-21

  This application discloses 6-Phenyl-imidazo[1,2-a]pyrazine derivatives according to generic Formulae I-V: wherein, variables Q, R, Y 1 , Y 2 , Y 3 , Y 4 , n, and m are defined as described herein, which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation such as rheumatoid arthritis. Also disclosed are compositions comprising compounds of Formulae I-V and at least one carrier, diluent or excipient.

  该应用程序根据通用公式I-V 揭示了6-苯基咪唑并[1,2-a]吡嗪衍生物： 其中，变量Q、R、Y1、Y2、Y3、Y4、n 和m 如本文所述定义，这些衍生物抑制Btk。本文所披露的化合物可用于调节Btk 的活性并治疗与过度Btk 活性相关的疾病。这些化合物进一步可用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还披露了包含公式I-V 化合物和至少一种载体、稀释剂或赋形剂的组合物。