(E,6R)-6-methyl-8-[(4Z,6Z,8E,10R,16S,17E,20R,21R,22S,24R,25S,26S,27E,31E)-22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.112,16.120,24.010,14]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]non-7-enoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (E,6R)-6-methyl-8-[(4Z,6Z,8E,10R,16S,17E,20R,21R,22S,24R,25S,26S,27E,31E)-22,25,26-trihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.112,16.120,24.010,14]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]non-7-enoic acid
• 化学式: C₄₇H₆₆O₁₁
• 分子量: 807.0
• InChiKey: OTABDKFPJQZJRD-WMAKPFPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  58
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  161
• 氢给体数：
  4
• 氢受体数：
  11

文献信息

• BIPARTITE INHIBITORS OF BACTERIAL RNA POLYMERASE
  申请人：Rutgers, The State University of New Jersey

  公开号：US20170056512A1

  公开（公告）日：2017-03-02

  The invention provides bipartite inhibitors of bacterial RNA polymerase having the general structural formula (I): X-α-Y  (I) wherein X is an moiety that binds to the rifamycin binding site of a bacterial RNA polymerase, Y is a moiety that binds to the GE23077 binding site of a bacterial RNA polymerase, and α is a linker. The invention also provides compositions comprising such compounds, methods of making such compounds, and methods of using said compounds. The invention has applications in control of bacterial gene expression, control of bacterial growth, antibacterial chemistry, and antibacterial therapy.

  本发明提供了具有一般结构式（I）的细菌RNA聚合酶的双分子抑制剂：X-α-Y（I），其中X是结合到细菌RNA聚合酶利福霉结合位点的基团，Y是结合到细菌RNA聚合酶GE23077结合位点的基团，而α是连接剂。本发明还提供了包含这种化合物的组合物、制备这种化合物的方法以及使用这些化合物的方法。本发明在细菌基因表达的控制、细菌生长的控制、抗菌化学和抗菌治疗方面具有应用价值。
• Bipartite inhibitors of bacterial RNA polymerase
  申请人：Rutgers, The State University of New Jersey

  公开号：US10010619B2

  公开（公告）日：2018-07-03

  The invention provides bipartite inhibitors of bacterial RNA polymerase having the general structural formula (I): X-α-Y  (I) wherein X is an moiety that binds to the rifamycin binding site of a bacterial RNA polymerase, Y is a moiety that binds to the GE23077 binding site of a bacterial RNA polymerase, and α is a linker. The invention also provides compositions comprising such compounds, methods of making such compounds, and methods of using said compounds. The invention has applications in control of bacterial gene expression, control of bacterial growth, antibacterial chemistry, and antibacterial therapy.

  本发明提供了具有通式（I）结构的细菌 RNA 聚合酶双抑制剂： X-α-Y (I) 其中X是与细菌RNA聚合酶的利福霉素结合位点结合的分子，Y是与细菌RNA聚合酶的GE23077结合位点结合的分子，α是连接体。本发明还提供了包含此类化合物的组合物、制造此类化合物的方法以及使用所述化合物的方法。本发明可应用于控制细菌基因表达、控制细菌生长、抗菌化学和抗菌治疗。
• US9415112B2
  申请人：——

  公开号：US9415112B2

  公开（公告）日：2016-08-16