6-Chloro-4-(cyclohexyloxy)-3-isopropyl-2(1H)-quinolinone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-Chloro-4-(cyclohexyloxy)-3-isopropyl-2(1H)-quinolinone
• 英文别名: 6-chloro-4-cyclohexyloxy-3-propan-2-ylquinolin-2-ol
• 化学式: C₁₈H₂₂ClNO₂
• 分子量: 319.831
• InChiKey: OQCFORGSZJSAEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异丙基丙二酸二乙酯 在 potassium carbonate 、 三乙胺 作用下， 以 二苯醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 6-Chloro-4-(cyclohexyloxy)-3-isopropyl-2(1H)-quinolinone
  参考文献：
  名称：

  Design of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase with Improved Drug Resistance Properties. 1.

  摘要：

  We have used a structure-based approach to design a novel series of non-nucleoside inhibitors of HIV-1 RT (NNRTIs). Detailed analysis of a wide range of crystal structures of HIV-1 RT-NNRTI complexes together with data on drug resistance mutations has identified factors important for tight binding of inhibitors and resilience to mutations. Using this approach we have designed and synthesized a novel series of quinolone NNRTIs. Crystal structure analysis of four of these compounds in complexes with HIV-1 RT confirms the predicted binding modes. Members of this quinolone series retain high activity against the important resistance mutations in RT at Tyr181Cys and Leu100Ile.

  DOI：

  10.1021/jm040071z

文献信息

• Quinolone compounds for use in treating viral infections
  申请人：——

  公开号：US20030069271A1

  公开（公告）日：2003-04-10

  The present invention relates to quinolone compounds and their use in the treatment of viral infections.

  本发明涉及喹诺酮化合物及其在治疗病毒感染中的应用。
• Design of Non-nucleoside Inhibitors of HIV-1 Reverse Transcriptase with Improved Drug Resistance Properties. 2.
  作者：George A. Freeman、C. Webster Andrews、Andrew L. Hopkins、Gina S. Lowell、Lee T. Schaller、Jill R. Cowan、Stephen S. Gonzales、George W. Koszalka、Richard J. Hazen、Lawrence R. Boone、Rob G. Ferris、Katrina L. Creech、Grace B. Roberts、Steven A. Short、Kurt Weaver、David J. Reynolds、John Milton、Jingshan Ren、David I. Stuart、David K. Stammers、Joseph H. Chan

  DOI：10.1021/jm040072r

  日期：2004.11.1

  HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs) are part of the combination therapy currently used to treat HIV infection. The features of a new NNRTI drug for HIV treatment must include selective potent activity against both wild-type virus as well as against mutant virus that have been selected by use of current antiretroviral treatment regimens. Based on analogy with known HIV-1 NNRTI inhibitors and modeling studies utilizing the X-ray crystal structure of inhibitors bound in the HIV-1 RT, a series of substituted 2-quinolones was synthesized and evaluated as HIV-1 inhibitors.
• QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1244629A2

  公开（公告）日：2002-10-02
• REGULATED BIOCIRCUIT SYSTEMS
  申请人：Obsidian Therapeutics, Inc.

  公开号：US20190192691A1

  公开（公告）日：2019-06-27

  The present invention provides regulatable biocircuit systems. Such systems provide modular and tunable protein expression systems in support of the discovery and development of therapeutic modalities.
• IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS
  申请人：CAMP4 THERAPEUTICS CORPORATION

  公开号：US20210254056A1

  公开（公告）日：2021-08-19

  The present invention provides methods and compositions for the evaluation, alteration and/or optimization of gene signaling. Methods and systems are also provided which exploit the information generated in the identification of new targets and non-canonical signaling pathways.