5-[(4-hydroxyphenyl)ethynyl]-1,3-benzenediol | 400608-32-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-[(4-hydroxyphenyl)ethynyl]-1,3-benzenediol
• 英文别名: 3,4’,5-trihydroxydiphenylacetylene；3,4',5-trihydroxydiphenylacetylene；3,4’,5-trihydroxytolan；3,4',5-trihydroxytolan；5-[2-(4-Hydroxyphenyl)ethynyl]benzene-1,3-diol
• CAS: 400608-32-4
• 化学式: C₁₄H₁₀O₃
• 分子量: 226.232
• InChiKey: INCPELDRPZIEKK-UHFFFAOYSA-N

物化性质

• 沸点：
  473.9±28.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,5-二甲氧基碘苯 在 bis-triphenylphosphine-palladium(II) chloride 甲醇 、 potassium fluoride 、 copper(l) iodide 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 生成 5-[(4-hydroxyphenyl)ethynyl]-1,3-benzenediol
  参考文献：
  名称：

  WO2008/157745

  摘要：

  公开号：

文献信息

• Syntheses of Resveratrol Analogues and Evaluation of Their Antioxidant Activity
  作者：Mi Jeong Kim、Se Hoon Jung、Insu Moon、Jong-Gab Jun、Jeong Tae Lee

  DOI：10.5012/bkcs.2014.35.5.1549

  日期：2014.5.20

  E-mail: [e-mail]; [e-mail] (J. T. Lee)Received December 18, 2013, Accepted January 14, 2014Key Words : Stilbene, Resveratrol analogue, antioxidant, ABTSReactive oxygen species (ROS) referring free radicalswith oxygen molecules are produced in the body as by-products during the normal metabolic process which gene-rates energy by the oxidation of carbohydrates, fats, andproteins.

  邮箱：[e-mail]；[e-mail] (JT Lee) 2013 年 12 月 18 日接收，2014 年 1 月 14 日接受 关键词：芪、白藜芦醇类似物、抗氧化剂、ABTS 活性氧（ROS）是指体内产生的自由基，氧分子是由-正常代谢过程中的产物，通过碳水化合物、脂肪和蛋白质的氧化产生能量。自由基如超氧阴离子自由基（O
• Methods for treating subjects infected with a herpes virus or neisseria gonorrheae
  申请人：——

  公开号：US20020103262A1

  公开（公告）日：2002-08-01

  The present invention provides a method of inhibiting the formation of infectious herpes virus particles, particularly infectious herpes simplex virus (HSV) particles, in a host cell. The method involves administering an effective amount of a hydroxylated tolan, particularly a polyhydroxylated tolan, to a herpes virus infected host cell. The present invention also provides a method of treating a herpes virus infection, particularly an HSV infection. The method comprises administering a topical composition comprising a therapeutically effective amount of a hydroxylated tolan to a herpes virus-infected site. The present invention also relates to a topical composition for treating a herpes virus infection selected from the group consisting of an HSV infection, a cytomegalovirus infection, and a varicella zoster virus infection. The present invention also provides a method of treating a subject infected with Neisseria gonorrhea.

  本发明提供了一种抑制感染性疱疹病毒颗粒形成的方法，特别是在宿主细胞中抑制感染性单纯疱疹病毒（HSV）颗粒的方法。该方法涉及向感染疱疹病毒的宿主细胞中投入有效量的羟基化托兰，特别是多羟基化托兰。本发明还提供了一种治疗疱疹病毒感染，特别是HSV感染的方法。该方法包括向疱疹病毒感染部位投入含有治疗有效量羟基化托兰的局部组合物。本发明还涉及一种用于治疗疱疹病毒感染的局部组合物，所述感染可以是HSV感染、巨细胞病毒感染或水痘带状疱疹病毒感染。本发明还提供了一种治疗被淋病奈瑟氏菌感染的受试者的方法。
• Photochemical and photocatalytic degradation of trans-resveratrol
  作者：Cláudia Gomes Silva、Judith Monteiro、Rita R. N. Marques、Adrián M. T. Silva、Cristina Martínez、Moisés Canle L.、Joaquim Luís Faria

  DOI：10.1039/c2pp25239b

  日期：2013.4

  Photochemical and photocatalytic degradation of the emerging pollutant trans-resveratrol has been studied under different irradiation wavelengths and using different TiO2 catalysts. trans-Resveratrol was more easily degraded when irradiated using the whole spectral range (UV-Vis) rather than with UV and near-UV to visible irradiation. The main intermediate of trans-resveratrol phototransformation was identified as its isomer cis-resveratrol. Different TiO2 catalysts were used to carry out the photocatalytic degradation of trans-resveratrol. Catalysts properties such as crystallite dimensions, surface area and presence of hydroxy surface groups are shown to be crucial to the photocatalytic efficiency of the materials tested. From the point of view of trans-resveratrol abatement, the photocatalytic process was more efficient than the pure photochemical one resulting in higher degradation rates and higher organic content removal. Six photoproducts of trans-resveratrol phototransformation were identified mainly resulting from the attack of the hydroxyl radical to the organic molecule.

  在不同的照射波长和使用不同的 TiO2 催化剂下，研究了新兴污染物反式白藜芦醇的光化学和光催化降解。当使用整个光谱范围（紫外-可见）而不是紫外和近紫外到可见光照射时，反式白藜芦醇更容易降解。反式白藜芦醇光转化的主要中间体被鉴定为其异构体顺式白藜芦醇。使用不同的TiO2催化剂进行反式白藜芦醇的光催化降解。催化剂的特性，例如晶粒尺寸、表面积和羟基表面基团的存在，对于测试材料的光催化效率至关重要。从反式白藜芦醇消除的角度来看，光催化过程比纯光化学过程更有效，导致更高的降解率和更高的有机物含量去除。鉴定出六种反式白藜芦醇光转化的光产物，主要是由羟基自由基对有机分子的攻击产生的。
• Methods for treating subjects infected with herpes virus or Neisseria gonorrheae
  申请人：——

  公开号：US20030203974A1

  公开（公告）日：2003-10-30

  The present invention provides a method of inhibiting the formation of infectious herpes virus particles, particularly infectious herpes simplex virus (HSV) particles, in a host cell. The method involves administering an effective amount of a hydroxylated tolan, particularly a polyhydroxylated tolan, to a herpes virus infected host cell. The present invention also provides a method of treating a herpes virus infection, particularly an HSV infection. The method comprises administering a topical composition comprising a therapeutically effective amount of a hydroxylated tolan to a herpes virus-infected site. The present invention also relates to a topical composition for treating a herpes virus infection selected from the group consisting of an HSV infection, a cytomegalovirus infection, and a varicella zoster virus infection. The present invention also provides a method of treating a subject infected with Neisseria gonorrhea.

  本发明提供了一种抑制宿主细胞内感染性疱疹病毒颗粒形成的方法，特别是抑制感染性单纯疱疹病毒（HSV）颗粒形成的方法。该方法涉及向疱疹病毒感染的宿主细胞中投入有效量的羟基化甲苯，特别是多羟基化甲苯。本发明还提供了一种治疗疱疹病毒感染，特别是HSV感染的方法。该方法包括向疱疹病毒感染部位投入含有治疗有效量的羟基化甲苯的局部组合物。本发明还涉及一种用于治疗疱疹病毒感染的局部组合物，所述疱疹病毒感染包括HSV感染、巨细胞病毒感染和带状疱疹病毒感染。本发明还提供了一种治疗感染淋病奈瑟菌的受试者的方法。
• ASCORBATE, VITAMIN K3 AND HYDROXYTOLANS IN THE TREATMENT OF CANCER
  申请人：Tsai Chun-che

  公开号：US20110160301A1

  公开（公告）日：2011-06-30

  The combination of compounds of the hydroxytolan family with ascorbate plus naphthoquinone (Vitamin K3; VK3), or a quinone or semiquinone analogue of VK3, kill tumor cells, inhibit tumor growth and development, and treat cancer in subjects in need thereof.

  羟基甲苯系列化合物与抗坏血酸加萘醌（维生素K3; VK3）或VK3的醌或半醌类似物的组合，可杀死肿瘤细胞，抑制肿瘤生长和发展，并治疗需要的患者的癌症。