(1S,2S,9S,12S,13R,14R)-N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-phenyl-10,15-dioxatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-triene-13-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (1S,2S,9S,12S,13R,14R)-N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-phenyl-10,15-dioxatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-triene-13-carboxamide
• 化学式: C₂₆H₁₉Cl₂NO₅
• 分子量: 496.347
• InChiKey: SJCQIKMJLOJSKF-RECADABPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (+/-)-(3R,3aS,6aR)-5-(3,4-dichlorophenyl)-3a,6a-dihydro-3-phenylspiro[1H-furo[3,4-c]pyrrole-1,2'-[2H]indene]-1',3',4,6(3H,5H)-tetrone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 (1S,2R,9S,12S,13R,14R)-N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-phenyl-10,15-dioxatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-triene-13-carboxamide 、 (1S,2S,9S,12S,13R,14R)-N-(3,4-dichlorophenyl)-2-hydroxy-11-oxo-14-phenyl-10,15-dioxatetracyclo[7.6.0.01,12.03,8]pentadeca-3,5,7-triene-13-carboxamide
  参考文献：
  名称：

  A series of heterocyclic inhibitors of phenylalanyl- t RNA synthetases with antibacterial activity

  摘要：

  A series of novel heterocyclic analogues have been synthesized and evaluated for their ability to inhibit phenylalanyl-t-RNA synthetases and act as antibacterial agents. Several analogues have good antibacterial activity against Staphylococcus aureus. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.082

文献信息

• INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF
  申请人：Whitman Malcolm

  公开号：US20120058133A1

  公开（公告）日：2012-03-08

  The present invention provides novel methods for modulating Th 17-mediated immune responses using aminoacyl tRNA synthetase inhibitors. Inhibition of aminoacyl tRNA synthetase inhibitors activates an amino acid starvation response (AAR) and can produce beneficial therapeutic effects. In some embodiments, aminoacyl tRNA synthetase inhibitors are used to treat disorders such as autoimmune diseases, graft rejection, infections, fibrosis, and inflammatory diseases.
• A series of heterocyclic inhibitors of phenylalanyl- t RNA synthetases with antibacterial activity
  作者：Xiang Y. Yu、John Finn、Jason M. Hill、Zhong G. Wang、Dennis Keith、Jared Silverman、N. Oliver

  DOI：10.1016/j.bmcl.2003.11.082

  日期：2004.3

  A series of novel heterocyclic analogues have been synthesized and evaluated for their ability to inhibit phenylalanyl-t-RNA synthetases and act as antibacterial agents. Several analogues have good antibacterial activity against Staphylococcus aureus. (C) 2004 Elsevier Ltd. All rights reserved.