2-Chlorcarbonyl-3-chlor-5-fluorbenzothiophen | 34576-84-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-Chlorcarbonyl-3-chlor-5-fluorbenzothiophen
• 英文别名: 3-chloro-5-fluorobenzo[b]thiophene-2-carbonyl chloride；3-chloro-5-fluoro-1-benzothiophene-2-carbonyl chloride
• CAS: 34576-84-6
• 化学式: C₉H₃Cl₂FOS
• 分子量: 249.093
• InChiKey: FBCMQAXTOTUICW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Chlorcarbonyl-3-chlor-5-fluorbenzothiophen 在 氧气 、 三乙胺 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 4,10-Difluoro<1>benzothieno<2,3-c>quinolin-6(5H)-one
  参考文献：
  名称：

  Luo, Jiann-Kuan; Castle, Steven L.; Castle, Raymond N., Journal of Heterocyclic Chemistry, 1990, vol. 27, # 7, p. 2047 - 2052

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氟肉桂酸 在 吡啶 、 氯化亚砜 作用下， 反应 12.67h， 以28.1%的产率得到2-Chlorcarbonyl-3-chlor-5-fluorbenzothiophen
  参考文献：
  名称：

  Small-Molecule Inhibitors of the TLR3/dsRNA Complex

  摘要：

  The protein-RNA interface has been regarded as "undruggable" despite its importance in many biological processes. The toll-like receptor 3 (TLR3)/double-stranded RNA (dsRNA) complex provides an exciting target for a number of infectious diseases and cancers. We describe the development of a series of small-molecule probes that were shown to be competitive inhibitors of dsRNA binding to TLR3 with high affinity and specificity. In a multitude of assays, compound 4a was profiled as a potent antagonist to TLR3 signaling and also repressed the expression of downstream signaling pathways mediated by the TLR3/dsRNA complex, including TNF-alpha and IL-1 beta.

  DOI：

  10.1021/ja111312h

文献信息

• Compositions comprising multiple bioactive agents, and methods of using the same
  申请人：Berman M. Judd

  公开号：US20060142265A1

  公开（公告）日：2006-06-29

  In part, the present invention is directed to compositions comprising a FabI inhibitor and at least one other bioactive agent. In another part, the present invention is directed to antibacterial compositions comprising a compound of formulas I-III and at least one other antibacterial agent.

  本发明的一部分涉及含有FabI抑制剂和至少一种其他生物活性剂的组合物。另一部分，本发明涉及含有I-III式化合物和至少一种其他抗菌剂的抗菌组合物。
• Therapeutic agents, and methods of making and using the same
  申请人：Sargent Bruce J.

  公开号：US20100093705A1

  公开（公告）日：2010-04-15

  In part, the present invention is directed to antibacterial compounds.

  部分地，本发明是针对抗菌化合物的。
• Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same
  申请人：BERMAN JUDD M.

  公开号：US20120010127A1

  公开（公告）日：2012-01-12

  In part, the present invention is directed to compositions comprising a FabI inhibitor and at least one other bioactive agent. In another part, the present invention is directed to antibacterial compositions comprising a compound of formulas I-III and at least one other antibacterial agent.

  本发明的一部分涉及包含FabI抑制剂和至少一种其他生物活性剂的组合物。另一部分涉及包含I-III式化合物和至少一种其他抗菌剂的抗菌组合物。
• MODULATORS OF TLR3/DSRNA COMPLEX AND USES THEREOF
  申请人：Yin Hang

  公开号：US20140094507A1

  公开（公告）日：2014-04-03

  The present invention provides compounds and compositions that can modulate formation of Toll-like receptor 3 (TLR3) and double-stranded RNA (dsRNA) complex, and methods for using the same. In particular, some aspects of the invention provide compounds of the formula: compositions comprising and methods for using the same, where n, Ar 1 , Ar 2 , X 1 , X 2 , X 3 , Z 1 , and Z 2 are those defined herein.

  本发明提供了能够调节Toll样受体3（TLR3）和双链RNA（dsRNA）复合物形成的化合物和组合物以及使用它们的方法。特别地，本发明的某些方面提供了公式的化合物：组合物和使用它们的方法，其中n、Ar1、Ar2、X1、X2、X3、Z1和Z2的定义如本文所述。
• THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME
  申请人：Affinium Pharmaceuticals, Inc.

  公开号：US20140107106A1

  公开（公告）日：2014-04-17

  In part, the present invention is directed to antibacterial compounds.

  部分地，本发明涉及抗菌化合物。