2-bromo-1-(3,5-dibromo-4-hydroxyphenyl)ethanone | 34969-79-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(3,5-dibromo-4-hydroxyphenyl)ethanone
• 英文别名: 2-bromo-1-(3,5-dibromo-4-hydroxy-phenyl)-ethanone；2-Brom-1-(3,5-dibrom-4-hydroxy-phenyl)-aethanon；2-bromo-1-(3,5-dibromo-4-hydroxy-phenyl)ethanone；2,3',5'-Tribrom-4'-hydroxyacetophenon
• CAS: 34969-79-4
• 化学式: C₈H₅Br₃O₂
• 分子量: 372.839
• InChiKey: QJYHZXHBVVDNQF-UHFFFAOYSA-N

物化性质

• 熔点：
  128 °C
• 沸点：
  382.9±42.0 °C(Predicted)
• 密度：
  2.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-1-(3,5-dibromo-4-hydroxyphenyl)ethanone 在 N-甲基吗啉 、 氢溴酸 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 以 甲醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 68.0h， 生成 3-(3-bromo-4-methoxyphenyl)-N-[2-(3,5-dibromo-4-hydroxyphenyl)-2-oxoethyl]-2-hydroxyprop-2-enamide
  参考文献：
  名称：

  The first total synthesis and biological evaluation of marine natural products ma’edamines A and B

  摘要：

  We have developed the first total syntheses of marine natural products ma'edamines A (18) and B (20). Structurally, they contain a pyrazine-2-(1H)-one core and were screened for antiproliferative activity on several cancer cell lines. Out of the six cell lines tested, ma'edamines A and B showed significant cytotoxicity against human colon cancer line COLO 205.(IC50 7.9 and 10.3 mu M, respectively), breast cancer cell line MCF-7 (IC50: 6.9 and 10.5 mu M, respectively) and human lung adenocarcinoma cell line A549 (IC50: 12.2 and 15.4 mu M, respectively). The apoptotic effect of ma'edamines was confirmed by comet assay. Hence ma'edamines are likely to be useful as leads for development of a new class of anti-cancer agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.033
• 作为产物：
  描述：

  2-溴-4'-羟基苯乙酮 在 溴 、 sodium acetate 、 溶剂黄146 作用下， 反应 0.17h， 以80.1%的产率得到2-bromo-1-(3,5-dibromo-4-hydroxyphenyl)ethanone
  参考文献：
  名称：

  IMIDAZO[1,2A]PYRIDINES FOR TREATING OR PREVENTING HYPERURICEMIA OR GOUT

  摘要：

  公开号：

  EP3348557B1

文献信息

• HETEROCYCLIC DERIVATIVES
  申请人：Ahn Sung Oh

  公开号：US20110028467A1

  公开（公告）日：2011-02-03

  The present invention relates to heterocyclic derivatives, and more particularly, to novel heterocyclic derivatives useful for the preparation of medicaments for treating diseases related to uric acid.

  本发明涉及杂环衍生物，更具体地，涉及用于制备治疗与尿酸相关疾病的药物的新颖杂环衍生物。
• Synthesis and biological evaluation of novel SIPI-7623 derivatives as farnesoid X receptor (FXR) antagonists
  作者：Si-Yun Nian、Guo-Ping Wang、Zheng-Li Jiang、Ying Xiao、Mo-Han Huang、Yi-Huan Zhou、Xiang-Duan Tan

  DOI：10.1007/s11030-018-9843-2

  日期：2019.2

  Most of reported steroidal FXR antagonists are restricted due to low potency. We described the design and synthesis of novel nonsteroidal scaffold SIPI-7623 derivatives as FXR antagonists. The most potent compound A-11 (IC50 = 7.8 ± 1.1 μM) showed better activity compared to SIPI-7623 (IC50 = 40.8 ± 1.7 μM) and guggulsterone (IC50 = 45.9 ± 1.1 μM). Docking of A-11 in FXR’s ligand-binding domain was

  大多数报道的甾体FXR拮抗剂由于药效低而受到限制。我们描述了作为FXR拮抗剂的新型非甾体支架SIPI-7623衍生物的设计和合成。 与SIPI-7623（IC 50  = 40.8±1.7μM）和古古甾酮（IC 50  = 45.9± 1.1μM）相比，最有效的化合物A-11（IC 50 = 7.8± 1.1μM）表现出更好的活性。还研究了A-11在FXR的配体结合域中的对接。
• Compounds, Compositions and Methods Comprising Triazine Derivatives
  申请人：Russell Michael Geoffrey Neil

  公开号：US20090264433A1

  公开（公告）日：2009-10-22

  The present invention relates to compositions and methods for treating a disease in an animal, which disease is responsive to inhibiting of functional cystic fibrosis transmembrane conductance regulator (CFTR) polypeptide by administering to a mammal in need thereof an effective amount of a compound defined herein (including those compounds set forth in Table 1 or encompassed by formulas I-II) or compositions thereof, thereby treating the disease. The present invention particularly, relates to a method of treating diarrhea and polycystic kidney disease.

  本发明涉及治疗动物疾病的组合物和方法，该疾病对通过向需要的哺乳动物施用本文中定义的化合物的有效量（包括表1中列出的那些化合物或由公式I-II包围的化合物）或其组合物进行抑制功能性囊性纤维化跨膜传导调节器（CFTR）多肽而产生反应，从而治疗该疾病。本发明特别涉及治疗腹泻和多囊性肾病的方法。
• Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives
  申请人：Doyle Kevin James

  公开号：US20090318429A1

  公开（公告）日：2009-12-24

  The present invention relates to compositions and methods for treating a disease in an animal, which disease is responsive to inhibiting of functional cystic fibrosis transmembrane conductance regulator (CFTR) polypeptide by administering to a mammal in need thereof an effective amount of a compound defined herein (including those compounds set forth in Tables 1-14 or encompassed by formulas I-XII) or compositions thereof, thereby treating the disease. The present invention particularly, relates to a method of treating diarrhea and polycystic kidney disease.

  本发明涉及用于治疗动物患病的组合物和方法，该疾病对通过向需要的哺乳动物投予本文所定义的化合物的有效量（包括表1-14中列出的那些化合物或被I-XII公式所包含的化合物）或其组合物来抑制功能性囊性纤维化跨膜传导调节蛋白（CFTR）多肽作出反应，从而治疗该疾病。本发明特别涉及一种治疗腹泻和多囊性肾病的方法。
• Compounds, Compositions and Methods Comprising Thiazole Derivatives
  申请人：Doyle Kevin James

  公开号：US20100099677A1

  公开（公告）日：2010-04-22

  The present invention relates to compositions and methods for treating a disease in an animal, which disease is responsive to inhibiting of functional cystic fibrosis transmembrane conductance regulator (CFTR) polypeptide by administering to a mammal in need thereof an effective amount of a compound defined herein (including those compounds set forth in Tables 1-2 or encompassed by formulas I-V) or compositions thereof, thereby treating the disease. The present invention particularly, relates to a method of treating diarrhea and polycystic kidney disease.

  本发明涉及用于治疗动物患有的对抑制功能性囊性纤维化跨膜传导调节因子（CFTR）多肽敏感的疾病的组合物和方法，通过向需要治疗的哺乳动物中投与本文所定义的化合物（包括表1-2中列出的化合物或由公式I-V所包含的化合物）或其组合物的有效量，从而治疗该疾病。本发明特别涉及治疗腹泻和多囊肾病的方法。