5-bromo-3-phenylamino-1-methylpyrazin-2(1H)-one

• 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: 5-bromo-3-phenylamino-1-methylpyrazin-2(1H)-one
• 英文别名: 5-Bromo-1-methyl-3-phenylamino-1H-；3-anilino-5-bromo-1-methylpyrazin-2-one
• 化学式: C₁₁H₁₀BrN₃O
• 分子量: 280.124
• InChiKey: RQYXZLXEPSVQRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-二甲基苯酚 、 5-bromo-3-phenylamino-1-methylpyrazin-2(1H)-one 在 caesium carbonate 、 乙酸乙酯 、 copper(l) chloride 作用下， 以 甲苯 为溶剂， 以28%的产率得到3-Anilino-5-(2,4-dimethylphenoxy)-1-methyl-pyrazin-2-one
  参考文献：
  名称：

  Design, Synthesis, and SAR of a Novel Pyrazinone Series with Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitory Activity

  摘要：

  A series of novel pyrazinones designed as non-nucleoside reverse transcriptase inhibitors (NNRTIs) was synthesized and their anti-HIV structure-activity relationship (SAR) was studied.

  DOI：

  10.1021/jm040829e
• 作为产物：
  描述：

  3,5-二溴-1-甲基吡嗪-2(1h)-酮 、 苯胺 在 D(+)-10-樟脑磺酸 作用下， 以 异丙醇 为溶剂， 反应 48.0h， 以71%的产率得到5-bromo-3-phenylamino-1-methylpyrazin-2(1H)-one
  参考文献：
  名称：

  Design, Synthesis, and SAR of a Novel Pyrazinone Series with Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitory Activity

  摘要：

  A series of novel pyrazinones designed as non-nucleoside reverse transcriptase inhibitors (NNRTIs) was synthesized and their anti-HIV structure-activity relationship (SAR) was studied.

  DOI：

  10.1021/jm040829e

文献信息

• [EN] SUBSTITUTED 2-PYRAZINONE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE 2-PYRAZINONE SUBSTITUÉS EN TANT QU'INHIBITEURS DE KINASE
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2014108820A1

  公开（公告）日：2014-07-17

  The present invention provides novel substituted 2-pyrazinone derivatives of formula (1) as protein kinase inhibitors, in which R1; R2, R3, R4, R5, R6, R7 and 'p' have the meanings given in the specification, and pharmaceutically acceptable salts thereof that are useful in the treatment and prevention in diseases or disorder, in particular their use in diseases or disorder where there is an advantage in inhibiting kinase enzyme, more particularly BTK enzyme. The present invention also provides methods for synthesizing and administering the kinase inhibitor compounds. The present invention also provides pharmaceutical formulations comprising at least one of the kinase inhibitor compounds together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

  本发明提供了一种新型的取代2-吡嗪酮衍生物，其化学式为(1)，作为蛋白激酶抑制剂，其中R1；R2，R3，R4，R5，R6，R7和'p'在说明书中给出了含义，以及其药学上可接受的盐，可用于治疗和预防疾病或紊乱，特别是在抑制激酶酶具有优势的疾病或紊乱中的应用，更具体地是BTK酶。本发明还提供了合成和给药激酶抑制剂化合物的方法。本发明还提供了包含至少一种激酶抑制剂化合物的药物配方，以及与其配合使用的药学上可接受的载体、稀释剂或赋形剂。
• INHIBITORS OF BRUTON'S TYROSINE KINASE
  申请人：Beyond Oncology Pharmaceutical LLC

  公开号：US20160214963A1

  公开（公告）日：2016-07-28

  The disclosure includes compounds of Formula (I) wherein R 0 , R 1 , R 2 , R 3 , R 4 , R 5 , and L are defined herein. Also disclosed is a method for treating a neoplastic disease, autoimmune disease, and inflammatory disorder with these compounds.

  本披露涉及式（I）中的化合物，其中R0，R1，R2，R3，R4，R5和L的定义如本文所述。还披露了使用这些化合物治疗肿瘤性疾病、自身免疫性疾病和炎症性疾病的方法。
• Design, Synthesis, and SAR of a Novel Pyrazinone Series with Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitory Activity
  作者：Jan Heeres、Marc R. de Jonge、Lucien M. H. Koymans、Frits F. D. Daeyaert、Maarten Vinkers、Koen J. A. Van Aken、Eddy Arnold、Kalyan Das、Amuri Kilonda、Georges J. Hoornaert、Frans Compernolle、Marek Cegla、Rasha A. Azzam、Koen Andries、Marie-Pierre de Béthune、Hilde Azijn、Rudi Pauwels、Paul J. Lewi、Paul A. J. Janssen

  DOI：10.1021/jm040829e

  日期：2005.3.1

  A series of novel pyrazinones designed as non-nucleoside reverse transcriptase inhibitors (NNRTIs) was synthesized and their anti-HIV structure-activity relationship (SAR) was studied.