5-tert-butyl-2-pyrone | 662126-17-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 5-tert-butyl-2-pyrone
• 英文别名: 5-tert-Butyl-2H-pyran-2-one；5-tert-butylpyran-2-one
• CAS: 662126-17-2
• 化学式: C₉H₁₂O₂
• 分子量: 152.193
• InChiKey: GQELCXCYCXLXSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  [Fe(tris(4,5-diphenyl-1-methylimidazol-2-yl)phosphine)(4-tert-butylcatecholate)](OTf)*2DCE 在 氧气 、 盐酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 5-tert-butyl-2-pyrone 、 4-tert-butyl-2-pyrone
  参考文献：
  名称：

  仿生 Fe(II) 配合物与非纯儿茶酚酸酯、邻氨基苯酚酸酯和邻苯二胺配体的双氧反应性

  摘要：

  本研究描述了一系列高自旋单核 Fe(II) 配合物的 O 2反应性，每个配合物都包含面配位的三（4,5-二苯基-1-甲基咪唑-2-基）膦（Ph2 TIP）配体和一个下面的二齿，氧化还原活性的配体：4-叔-butylcatecholate（吨卜CATH - ），4,6-二-叔丁基-2-氨基苯酚（吨BU2 APH - ），或4-叔丁基-1， 2-苯二胺（t Bu PDA）。[Fe 2+ ( Ph2 TIP)( t BuCatH)]OTf、[ 3 ]OTf 和 [Fe 2+ ( Ph2 TIP)( t Bu PDA)](OTf) 2、[ 4 ](OTf) 2在这里描述，而 [Fe 2+ ( Ph2 TIP)( t Bu2 APH)]OTf, [ 2 ]OTf 在我们之前的论文 [Bittner et al., Chem.-Eur. J. 2013, 19 , 9686–9698]。这些复合物模拟

  DOI：

  10.1021/ic403126p

文献信息

• Substituted aryl acylthioureas and related compounds; inhibitors of viral replication
  申请人：Phadke Avinash

  公开号：US20060025416A1

  公开（公告）日：2006-02-02

  The invention provides compounds and pharmaceutically acceptable salts of Formula I wherein the variables A 1 , A 2 , R 1 , R 2 , V, W, X, Y, and Z are defined herein. Certain compounds of Formula I described herein which possess potent antiviral activity. The invention particularly provides compounds of Formula I that are potent and/or selective inhibitors of Hepatitis C virus replication. The invention also provides pharmaceutical compositions containing one or more compound of Formula I, or a salt, solvate, or acylated prodrug of such compounds, and one or more pharmaceutically acceptable carriers, excipients, or diluents. The invention further comprises methods of treating patients suffering from certain infectious diseases by administering to such patients an amount of a compound of Formula I effective to reduce signs or symptoms of the disease or disorder. These infectious diseases include viral infections, particularly HCV infections. The invention is particularly includes methods of treating human patients suffering from an infectious disease, but also encompasses methods of treating other animals, including livestock and domesticated companion animals, suffering from an infectious disease. Methods of treatment include administering a compound of Formula I as a single active agent or administering a compound of Formula I in combination with on or more other therapeutic agent.

  该发明提供了化合物和药用可接受的盐的公式I，其中变量A1、A2、R1、R2、V、W、X、Y和Z在此处定义。本文描述了公式I的某些化合物具有强效的抗病毒活性。该发明特别提供了公式I的化合物，这些化合物是对丙型肝炎病毒复制具有强效和/或选择性抑制作用的。该发明还提供了含有一个或多个公式I化合物、或这些化合物的盐、溶剂合物或酰化前药，以及一个或多个药用可接受的载体、辅料或稀释剂的药物组合物。该发明还包括通过向患有某些传染病的患者投与有效量的公式I化合物来减轻疾病或紊乱的症状或迹象的治疗方法。这些传染病包括病毒感染，特别是HCV感染。该发明特别包括治疗患有传染病的人类患者的方法，但也包括治疗其他动物，包括家畜和驯养的伴侣动物，患有传染病的方法。治疗方法包括单独使用公式I化合物作为活性剂或与一个或多个其他治疗剂联合使用公式I化合物。
• EXTRACELLULAR TARGETED DRUG CONJUGATES
  申请人：Hutchinson Charles R.

  公开号：US20110064752A1

  公开（公告）日：2011-03-17

  The present invention relates to, inter alia, extracellular drug conjugates (EDC) in which an antibody or other targeting agent (e.g. a targeting moiety) is linked to a drug through a linker (e.g. a non-cleavable linker). These conjugates are useful in the treatment of disease and/or as a tool in the evaluation of biological systems.

  本发明涉及细胞外药物结合物（EDC），其中抗体或其他靶向剂（例如靶向基团）通过连接剂（例如不可切割的连接剂）与药物连接。这些结合物在治疗疾病和/或作为评估生物系统的工具中很有用。
• SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION
  申请人：Phadke Avinash

  公开号：US20090023730A1

  公开（公告）日：2009-01-22

  The invention provides compounds and pharmaceutically acceptable salts of Formula I wherein the variables A 1 , A 2 , R 1 , R 2 , V, W, X, Y, and Z are defined herein. Certain compounds of Formula I described herein which possess potent antiviral activity. The invention particularly provides compounds of Formula I that are potent and/or selective inhibitors of Hepatitis C virus replication. The invention also provides pharmaceutical compositions containing one or more compound of Formula I, or a salt, solvate, or acylated prodrug of such compounds, and one or more pharmaceutically acceptable carriers, excipients, or diluents. The invention further comprises methods of treating patients suffering from certain infectious diseases by administering to such patients an amount of a compound of Formula I effective to reduce signs or symptoms of the disease or disorder. These infectious diseases include viral infections, particularly HCV infections. The invention is particularly includes methods of treating human patients suffering from an infectious disease, but also encompasses methods of treating other animals, including livestock and domesticated companion animals, suffering from an infectious disease. Methods of treatment include administering a compound of Formula I as a single active agent or administering a compound of Formula I in combination with on or more other therapeutic agent.

  本发明提供了式I的化合物和药学上可接受的盐，其中变量A1、A2、R1、R2、V、W、X、Y和Z在此定义。本文所描述的式I的某些化合物具有强效的抗病毒活性。本发明特别提供了式I的化合物，它们是强效和/或选择性的丙型肝炎病毒复制抑制剂。本发明还提供了含有式I的一个或多个化合物，或这些化合物的盐、溶剂合物或酰化前药的药物组合物，以及一个或多个药学上可接受的载体、赋形剂或稀释剂的制剂。本发明还包括通过向这些患者投与有效量的式I的化合物来治疗患有某些传染性疾病的患者的方法，以减轻疾病或失调的症状。这些传染性疾病包括病毒感染，特别是丙型肝炎病毒感染。本发明特别包括治疗患有传染性疾病的人类患者的方法，但也包括治疗其他动物，包括牲畜和家养伴侣动物，患有传染性疾病的方法。治疗方法包括将式I的化合物作为单一活性剂或将式I的化合物与一个或多个其他治疗剂联合使用。
• GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF
  申请人：Hutchinson Charles R.

  公开号：US20110319350A1

  公开（公告）日：2011-12-29

  The present invention provides glycoside compounds, methods of preparing such compounds, pharmaceutical compositions comprising such compounds, and a method for the treatment of hyperproliferative diseases using the same.

  本发明提供了一种糖苷化合物、制备这种化合物的方法、包含这种化合物的药物组合物以及使用它们治疗增生性疾病的方法。
• SLC2A TRANSPORTER INHIBITORS
  申请人：IOMET PHARMA LTD.

  公开号：US20160120863A1

  公开（公告）日：2016-05-05

  Provided is a SLC2A class I transporter inhibitor compound for use in medicine, which compound comprises the following formula: wherein A and Z may be the same or different and are each independently selected from C, N, O and S; each X may be the same or different and is independently selected from C, N, O and S; R 1 and R 5 may be present or absent and may be the same or different and are each selected from H and a substituted or unsubstituted organic group; Z completes a ring with each X, each ring comprising from 3 to 8 ring atoms including the X, A, and Z, each ring atom being independently selected from C, N, O and S, and each ring atom being unsubstituted or independently substituted with H or a substituted or unsubstituted organic group; and wherein the bonds between all of the atoms in the rings including the X, A, and Z may independently be single bonds or double bonds, provided that when X or a ring atom is O or S the bonds to X are single bonds.

  提供了一种用于医药的SLC2A类I转运体抑制剂化合物，该化合物包括以下结构式：其中A和Z可以相同或不同，且分别独立地选自C、N、O和S；每个X可以相同或不同，且独立地选自C、N、O和S；R1和R5可以存在或不存在，可以相同或不同，且分别选自H和取代或未取代的有机基团；Z与每个X形成环，每个环包括从3到8个环原子，包括X、A和Z，每个环原子独立地选自C、N、O和S，并且每个环原子未取代或独立地取代H或取代或未取代的有机基团；其中，包括X、A和Z在内的所有环中的原子之间的键可以独立地为单键或双键，但当X或环原子为O或S时，与X的键为单键。