N,N',N'',N'''-tetrakis-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-2,2'-terephthaloyldiamino-bis-terephthalamide | 5300-51-6

• 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: N,N',N'',N'''-tetrakis-[4-(4,5-dihydro-1H-imidazol-2-yl)-phenyl]-2,2'-terephthaloyldiamino-bis-terephthalamide
• 英文别名: 2,2'-[1,4-Phenylenebis(carbonylazanediyl)]bis{N~1~,N~4~-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide}；2-[[4-[[2,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl]phenyl]carbamoyl]benzoyl]amino]-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
• CAS: 5300-51-6
• 化学式: C₆₀H₅₂N₁₄O₆
• 分子量: 1065.16
• InChiKey: WJFXXPTVGBYFOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  80
• 可旋转键数：
  16
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  272
• 氢给体数：
  10
• 氢受体数：
  10

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。
• 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。
• US9951097B2
  申请人：——

  公开号：US9951097B2

  公开（公告）日：2018-04-24