methyl 6,7-dibromo-5,8-dihydro-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate | 1428248-22-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: methyl 6,7-dibromo-5,8-dihydro-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate
• 英文别名: Methyl 6,7-dibromo-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate；methyl 6,7-dibromo-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate
• CAS: 1428248-22-9
• 化学式: C₁₃H₉Br₂NO₄
• 分子量: 403.027
• InChiKey: QNYBBXJAALTYBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  73.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 6,7-dibromo-5,8-dihydro-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate 、 3,4-二氟苯胺 以 乙醇 为溶剂， 反应 0.5h， 生成 Methyl 6-bromo-7-(3,4-difluoroanilino)-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate
  参考文献：
  名称：

  Synthesis and antifungal evaluation of 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates

  摘要：

  7-Arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates were synthesized and tested for in vitro antifungal activity against two pathogenic strains of fungi. Most of tested compounds showed good antifungal activity. The results suggest that those 5,8-dioxo-5,8-dihydroisoquinolines would be potent antifungal agents. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.130
• 作为产物：
  描述：

  β-氨基巴豆酸甲酯 在 溴 、 sodium acetate 、 magnesium sulfate 、 silver(l) oxide 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 27.0h， 生成 methyl 6,7-dibromo-5,8-dihydro-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate
  参考文献：
  名称：

  Synthesis and antifungal evaluation of 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates

  摘要：

  7-Arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates were synthesized and tested for in vitro antifungal activity against two pathogenic strains of fungi. Most of tested compounds showed good antifungal activity. The results suggest that those 5,8-dioxo-5,8-dihydroisoquinolines would be potent antifungal agents. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.130

文献信息

• Synthesis and antimicrobial evaluation of promising 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates and their halogenated amino compounds for treating Gram-negative bacterial infections
  作者：Juliana S. Novais、Vinicius R. Campos、Ana Carolina J. A. Silva、Maria C. B. V. de Souza、Vitor F. Ferreira、Vitor G. L. Keller、Matheus O. Ferreira、Flaviana R. F. Dias、Maíra I. Vitorino、Plínio C. Sathler、Marcos V. Santana、Jackson A. L. C. Resende、Helena C. Castro、Anna C. Cunha

  DOI：10.1039/c7ra00825b

  日期：——

  may cause serious infections, such as pneumonia, which can be fatal especially to immunosuppressed individuals. Hospitalized patients are particularly susceptible to antibiotic-resistant infections, which are worsened when caused by resistant Gram-negative pathogens due to there being few therapeutic options available. Thus, this work describes the synthesis and in vitro antimicrobial profile of 7-arylamino-5

  病原细菌可能会引起严重的感染，例如肺炎，这可能对致命的免疫系统造成致命影响。住院患者特别容易受到抗生素耐药性感染，当耐药革兰氏阴性病原体引起耐药性感染时，这种情况会恶化，原因是可用的治疗选择很少。因此，这项工作描述了7-芳基氨基-5,8-二氧代-5,8-二氢异喹啉-4-羧酸盐及其卤代氨基醌对革兰氏阳性和革兰氏阴性细菌的合成和体外抗菌特性。有趣的是，这些生物活性物质已显示出对革兰氏阴性致病菌株的有希望的活性。在这些衍生物中，两种非卤代氨基化合物显示出有希望的MIC和MBC值（MIC = MBC = 1-2μgmL -1）对抗两种具有重要临床意义的革兰氏阴性菌株的大肠杆菌ATCC 25922和铜绿假单胞菌ATCC 27853。此外，单溴和二溴氨基醌也可有效防止大肠杆菌的生长（MIC = MBC = 2-4μgmL -1）。该体外血液相容性评价显示低毒性特征在溶血测定中活性aminoquinon