2-trifluoromethyl-3-(3,4,5-trimethoxybenzoyl)-naphtho[2,3-b]furan-4,9-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: 2-trifluoromethyl-3-(3,4,5-trimethoxybenzoyl)-naphtho[2,3-b]furan-4,9-dione
• 英文别名: 2-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)carbonyl]naphtho[2,3-b]furan-4,9-dione；2-(trifluoromethyl)-3-(3,4,5-trimethoxybenzoyl)benzo[f][1]benzofuran-4,9-dione
• 化学式: C₂₃H₁₅F₃O₇
• 分子量: 460.363
• InChiKey: BQLGEMQCJXNYHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  92
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,3-二氯-1,4-萘醌 、 (Z)-4,4,4-Trifluoro-3-hydroxy-1-(3,4,5-trimethoxy-phenyl)-but-2-en-1-one 在 十六烷基三甲基溴化铵 、 potassium carbonate 作用下， 以 xylene 为溶剂， 以30%的产率得到2-trifluoromethyl-3-(3,4,5-trimethoxybenzoyl)-naphtho[2,3-b]furan-4,9-dione
  参考文献：
  名称：

  Synthesis of Naphtho[2,3-b]furan-4,9-diones Having a Trifluoromethyl Group under Conditions of Phase-Transfer Catalysis

  摘要：

  DOI：

  10.1023/b:rujo.0000034925.06446.8a

文献信息

• Use of small molecule compounds for immunopotentiation
  申请人：Valiante M. Nicholas

  公开号：US20050136065A1

  公开（公告）日：2005-06-23

  The invention provides immunostimulatory compositions comprising a small molecule immuno-poteniator (SMIP) compound and methods of administration thereof. Also provided are methods of administering a SMIP compound in an effective amount to enhance the immune response of a subject to an antigen. Further provided are novel compositions and methods of administering SMIP compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma.

  本发明提供了包含小分子免疫增强剂（SMIP）化合物的免疫刺激组合物及其给药方法。还提供了在有效剂量下给予SMIP化合物以增强受体对抗原的免疫反应的方法。此外，还提供了用于治疗癌症、传染性疾病和/或过敏/哮喘的新型组合物和给药SMIP化合物的方法，单独或与另一种药物联合使用。
• Severe acute respiratory syndrome coronavirus
  申请人：Rappuoli Rino

  公开号：US20060257852A1

  公开（公告）日：2006-11-16

  An outbreak of a virulent respiratory virus, now known as Severe Acute Respiratory Syndrome (SARS), was identified in Hong Kong, China and a growing number of countries around the world in 2003. The invention relates to nucleic acids and proteins from the SARS coronavirus. These nucleic acids and proteins can be used in the preparation and manufacture of vaccine formulations, diagnostic reagents, kits, etc. The invention also provides methods for treating SARS by administering small molecule antiviral compounds, as well as methods of identifying potent small molecules for the treatment of SARS.

  2003年，在中国香港和世界各地越来越多的国家中，爆发了一种名为严重急性呼吸综合症（SARS）的致命呼吸道病毒。本发明涉及来自SARS冠状病毒的核酸和蛋白质。这些核酸和蛋白质可以用于制备和制造疫苗配方、诊断试剂盒等。本发明还提供了通过给予小分子抗病毒化合物治疗SARS的方法，以及识别用于治疗SARS的有效小分子的方法。
• Use of organic compounds for immunopotentiation
  申请人：Novartis Vaccines and Diagnostics, Inc.

  公开号：EP2258365A1

  公开（公告）日：2010-12-08

  The invention provides immunostimulatory compositions comprising a small molecule immuno-poteniator (SMIP) compound and methods of administration thereof. Also provided are methods of administering a SMIP compound in an effective amount to enhance the immune response of a subject to an antigen. Further provided are novel compositions and methods of administering SMIP compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma.

  本发明提供了包含小分子免疫增强剂（SMIP）化合物的免疫刺激组合物及其施用方法。还提供了施用有效量的 SMIP 化合物以增强受试者对抗原的免疫应答的方法。此外，还提供了单独施用 SMIP 化合物或与另一种制剂联合施用 SMIP 化合物以治疗癌症、传染性疾病和/或过敏/哮喘的新型组合物和方法。
• Small molecule immunopotentiators and assays for their detection
  申请人：Novartis Vaccines and Diagnostics, Inc.

  公开号：EP2583678A2

  公开（公告）日：2013-04-24

  The invention provides immunostimulatory compositions comprising a small molecule immuno-potentiator (SMIP) compound and methods of administration thereof. Also provided are methods of administering a SMIP compound in an effective amount to enhance the immune response of a subject to an antigen. Further provided are novel compositions and methods of administering SMIP compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma. In a further aspect, the invention relates generally to methods of screening for small molecule immuno-modulatory compositions.

  本发明提供了包含小分子免疫促进剂（SMIP）化合物的免疫刺激组合物及其施用方法。还提供了施用有效量的 SMIP 化合物以增强受试者对抗原的免疫应答的方法。本发明还提供了单独施用 SMIP 化合物或与另一种制剂联合施用 SMIP 化合物以治疗癌症、传染性疾病和/或过敏/哮喘的新型组合物和方法。在另一方面，本发明一般涉及筛选小分子免疫调节组合物的方法。
• 3-substituted carbonyl-naphtho[2,3-B]furane derivative or pharmaceutically acceptable salt thereof
  申请人：Boston Biomedical, Inc.

  公开号：US10017488B2

  公开（公告）日：2018-07-10

  The present invention provides a compound of the following Formula (1) or a pharmaceutically acceptable salt thereof: wherein X is an oxygen atom and the like; Y is —CO—, —SO2— and the like; R1 is an optionally-substituted C1-6 alkyl group, an optionally-substituted C1-6 alkylcarbonyl group and the like; R2 is an optionally-substituted C1-6 alkyl group, an optionally-substituted C1-6 alkoxy group, an optionally-substituted amino group, an optionally-substituted 5- to 12-membered monocyclic or polycyclic saturated heterocyclic group and the like; R3, R4, R5, and R6 are independently a hydrogen atom and the like which exhibits excellent effects in suppressing the proliferation and sphere-forming ability of cancer cells, and can be useful as an antitumor drug or cell growth inhibitor.

  本发明提供了下式（1）的化合物或其药学上可接受的盐： 其中 X 是氧原子等；Y 是 -CO-、-SO2- 等；R1 是任选取代的 C1-6 烷基、任选取代的 C1-6 烷基羰基等；R2 是任选取代的 C1-6 烷基、任选取代的 C1-6 烷氧基、任选取代的氨基、任选取代的 5 至 12 元单环或多环饱和杂环基等；R3、R4、R5 和 R6 独立地为氢原子等，在抑制癌细胞增殖和癌细胞球形成能力方面具有优异的效果，可用作抗肿瘤药物或细胞生长抑制剂。