2,2'-{benzene-1,3-Diylbis[ethyne-2,1-Diyl(5-Bromobenzene-3,1-Diyl)]}diethanamine | 862013-56-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2,2'-{benzene-1,3-Diylbis[ethyne-2,1-Diyl(5-Bromobenzene-3,1-Diyl)]}diethanamine
• 英文别名: 2-[3-[2-[3-[2-[3-(2-aminoethyl)-5-bromophenyl]ethynyl]phenyl]ethynyl]-5-bromophenyl]ethanamine
• CAS: 862013-56-7
• 化学式: C₂₆H₂₂Br₂N₂
• 分子量: 522.3
• InChiKey: JSVQCKAPBSOZCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• [EN] ANTIBACTERIAL COMPOUNDS TARGETING ISOPRENOID BIOSYNTHESIS<br/>[FR] COMPOSÉS ANTIBACTÉRIENS CIBLANT LA BIOSYNTHÈSE D'ISOPRÉNOÏDE
  申请人：UNIV ILLINOIS

  公开号：WO2014089226A1

  公开（公告）日：2014-06-12

  With the rise in resistance to antibiotics such as methicillin, there is a need for new drugs. The invention provides small molecules that inhibit cellular drug targets such as UPPS and FPPS by interacting with binding pockets, thereby preventing enzyme function. Compounds described herein are also active against Staphylococcus aureus (MIC90 ~0.25 µg/mL), can potently synergize with methicillin (fractional inhibitory concentration index = 0.25), and are protective in a mouse infection model. The invention therefore provides numerous compounds for anti-bacterial treatments and for restoring sensitivity to drugs such as methicillin, using combination therapies.

  随着对甲氧西林等抗生素的耐药性增加，需要新药物。该发明提供了能够通过与结合口袋相互作用来抑制细胞药物靶标如UPPS和FPPS的小分子，从而阻止酶功能的药物。本文描述的化合物还对金黄色葡萄球菌具有活性（MIC90约为0.25 µg/mL），可以与甲氧西林强有力地协同作用（分数抑制浓度指数=0.25），并且在小鼠感染模型中具有保护作用。因此，该发明提供了许多化合物用于抗菌治疗，并通过联合疗法恢复对甲氧西林等药物的敏感性。
• Anti-Malarial Compounds
  申请人：Scott Richard W.

  公开号：US20100081665A1

  公开（公告）日：2010-04-01

  The present invention provides tricyclic compounds, arylamide compounds, and other compounds, and compositions comprising the same, for treating malaria, and methods of treating malaria comprising administering such compounds to an animal.

  本发明提供了三环化合物、芳香酰胺化合物和其他化合物以及包含它们的组合物，用于治疗疟疾，并且提供了通过将这些化合物用于动物的方法来治疗疟疾。
• ANTI-MALARIAL COMPOUNDS
  申请人：Cellceutix Corporation

  公开号：US20150072997A1

  公开（公告）日：2015-03-12

  The present invention provides tricyclic compounds, arylamide compounds, and other compounds, and compositions comprising the same, for treating malaria, and methods of treating malaria comprising administering such compounds to an animal.

  本发明提供了三环化合物、芳香酰胺化合物和其他化合物，以及包含它们的组合物，用于治疗疟疾，并且包括将这些化合物用于动物治疗疟疾的方法。
• ANTIBACTERIAL COMPOUNDS TARGETING ISOPRENOID BIOSYNTHESIS
  申请人：THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

  公开号：US20160039857A1

  公开（公告）日：2016-02-11

  With the rise in resistance to antibiotics such as methicillin, there is a need for new drugs. The invention provides small molecules that inhibit cellular drug targets such as UPPS and FPPS by interacting with binding pockets, thereby preventing enzyme function. Compounds described herein are also active against Staphylococcus aureus (MIC90˜0.25 μg/mL), can potently synergize with methicillin (fractional inhibitory concentration index=0.25), and are protective in a mouse infection model. The invention therefore provides numerous compounds for anti-bacterial treatments and for restoring sensitivity to drugs such as methicillin, using combination therapies.

  随着对甲氧西林等抗生素的耐药性增加，需要新的药物。本发明提供了能够通过与结合口袋相互作用来抑制细胞药物靶点（如UPPS和FPPS）的小分子，从而防止酶功能的药物。本文所描述的化合物也对金黄色葡萄球菌（MIC90˜0.25 μg/mL）具有活性，能够与甲氧西林强烈协同作用（分数抑制浓度指数=0.25），并在小鼠感染模型中具有保护作用。因此，本发明提供了许多用于抗菌治疗和通过联合疗法恢复对甲氧西林等药物的敏感性的化合物。
• Arylamide compounds and compositions and uses thereof
  申请人：Cellceutix Corporation

  公开号：US10166232B2

  公开（公告）日：2019-01-01

  The present invention discloses ophthalmic and otic compositions of facially amphiphilic antimicrobial polymers and oligomers and their uses, including their use in methods for treating and preventing ophthalmic infections and otic infections in humans and animals.

  本发明公开了表面两亲性抗菌聚合物和低聚物的眼科和耳科组合物及其用途，包括它们在治疗和预防人类和动物眼科感染和耳科感染方法中的用途。