(2R,3R)-N-[(1S,7R,8S,9E,17S,20R,21S,24R,29S,32R)-29-benzyl-24-[(2S)-butan-2-yl]-8-hydroxy-32-[(1R)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12,23,26,28,31,34-hexazatricyclo[15.9.8.22,5]hexatriaconta-2(36),3,5(35),9-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (2R,3R)-N-[(1S,7R,8S,9E,17S,20R,21S,24R,29S,32R)-29-benzyl-24-[(2S)-butan-2-yl]-8-hydroxy-32-[(1R)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12,23,26,28,31,34-hexazatricyclo[15.9.8.22,5]hexatriaconta-2(36),3,5(35),9-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide
• 化学式: C₅₁H₇₁N₇O₁₆
• 分子量: 1038.16
• InChiKey: QDRISVFLDJIQNB-UMPSVNBLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  74
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  338
• 氢给体数：
  10
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  salinamide A 在 硫酸 作用下， 以 正丁醇 为溶剂， 反应 0.17h， 以7.7%的产率得到(2R,3R)-N-[(1S,7R,8S,9E,17S,20R,21S,24R,29S,32R)-29-benzyl-24-[(2S)-butan-2-yl]-8-hydroxy-32-[(1R)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12,23,26,28,31,34-hexazatricyclo[15.9.8.22,5]hexatriaconta-2(36),3,5(35),9-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide
  参考文献：
  名称：

  Bipartite inhibitors of bacterial RNA polymerase: Sal-target-inhibitor/nucleoside-analog-inhibitor conjugates

  摘要：

  该发明提供了公式（I）的化合物：X-α-Y（I），其中X、Y和a可以是规范中定义的任何值，以及它们的盐。这些化合物是细菌RNA聚合酶的抑制剂。

  公开号：

  US09243039B2

文献信息

• Antibacterial agents: salinamide derivatives
  申请人：Rutgers, The State University of New Jersey

  公开号：US09221880B2

  公开（公告）日：2015-12-29

  The invention provides compounds of formula (I): and salts thereof, wherein X and Y have any of the values defined herein. The compounds inhibit bacterial RNA polymerase, inhibit bacterial growth, and have applications in, analysis of RNA polymerase structure and function, control of bacterial gene expression, control of bacterial growth, antibacterial chemistry, antibacterial therapy, and drug discovery.

  该发明提供了式(I)的化合物及其盐，其中X和Y具有本文中定义的任何值。这些化合物抑制细菌RNA聚合酶，抑制细菌生长，并在RNA聚合酶结构和功能分析、细菌基因表达的控制、细菌生长的控制、抗菌化学、抗菌疗法和药物发现等方面具有应用。
• ANTIBACTERIAL AGENTS: SALINAMIDE DERIVATIVES
  申请人：Rutgers, The State University of New Jersey

  公开号：US20140162939A1

  公开（公告）日：2014-06-12

  The invention provides compounds of formula (I): and salts thereof, wherein X and Y have any of the values defined herein. The compounds inhibit bacterial RNA polymerase, inhibit bacterial growth, and have applications in, analysis of RNA polymerase structure and function, control of bacterial gene expression, control of bacterial growth, antibacterial chemistry, antibacterial therapy, and drug discovery.
• BIPARTITE INHIBITORS OF BACTERIAL RNA POLYMERASE: SAL-TARGET-INHIBITOR/NUCLEOSIDE-ANALOG-INHIBITOR CONJUGATES
  申请人：Rutgers, The State University of New Jersey

  公开号：US20140162940A1

  公开（公告）日：2014-06-12

  The invention provides bipartite inhibitors of bacterial RNA polymerase that contain: (i) a first moiety that binds to the salinamide binding site of a bacterial RNA polymerase; (ii) a second moiety comprising a nucleoside analog; and (iii) a linker connecting said first and second moieties.
• US9221880B2
  申请人：——

  公开号：US9221880B2

  公开（公告）日：2015-12-29
• US9243039B2
  申请人：——

  公开号：US9243039B2

  公开（公告）日：2016-01-26