Thiocoumarin | 3986-98-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 英文名称: Thiocoumarin
• 英文别名: 4-[3-(dimethylamino)propoxy]thiochromen-2-one
• CAS: 3986-98-9
• 化学式: C₁₄H₁₇NO₂S
• 分子量: 263.36
• InChiKey: DIOZFKOOIBATNZ-UHFFFAOYSA-N

物化性质

• 熔点：
  97 °C
• 沸点：
  250.6±43.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  54.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] SELECTIVE INHIBITORS OF CARBONIC ANHYDRASE<br/>[FR] INHIBITEURS SÉLECTIFS D'ANHYDRASE CARBONIQUE
  申请人：UNIV VILNIUS

  公开号：WO2017017505A1

  公开（公告）日：2017-02-02

  Invention is related to novel compounds – benzenesulfonamides of general formulas (I) and (II). The compounds can be used in biomedicine as active ingredients in pharmaceutical formulations, because they inhibit enzymes which participate in disease progression. Acknowledgements: This research was funded by the European Social Fund under the Global Grant measure (no. VP1-3.1.-SMM-07-K-02-009).

  发明涉及新化合物 - 通式（I）和（II）的苯磺酰胺。这些化合物可以作为药物配方中的活性成分在生物医学中使用，因为它们抑制参与疾病进展的酶。致谢：本研究得到欧洲社会基金在全球拨款措施（编号VP1-3.1.-SMM-07-K-02-009）下的资助。
• [EN] CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY<br/>[FR] INHIBITEURS D'ANHYDRASE CARBONIQUE PRÉSENTANT UNE ACTIVITÉ ANTIMÉTASTATIQUE
  申请人：METASIGNAL THERAPEUTICS INC

  公开号：WO2012070024A1

  公开（公告）日：2012-05-31

  Compositions for the treatment of cancer comprising coumarin and thiocoumarin derivatives of Formulas I- XII are disclosed. Said derivatives preferentially inhibit carbonic anhydrase IX and XII (which are associated with hypoxic and metastatic tumours) over inhibiting carbonic anhydrase I and II activity. The compositions therefore are suited for treatment of hypoxic or metastatic cancers due to this selective mechanism of action.

  本发明揭示了用于治疗癌症的组合物，包括公开的具有I-XII式的香豆素和硫代香豆素衍生物。所述衍生物优先抑制与低氧和转移性肿瘤相关的碳酸酐酶IX和XII，而不是抑制碳酸酐酶I和II的活性。因此，这些组合物由于这种选择性作用机制而适用于治疗低氧或转移性癌症。
• Releasable linkage and compositions containing same
  申请人：Zalipsky Samuel

  公开号：US20050265925A1

  公开（公告）日：2005-12-01

  Conjugates comprising a lipid or a hydrophilic polymer, such as polyethyleneglycol, linked to a ligand derived from an amine- or hydroxyl-containing compound, such as a drug or protein, are stable under conditions of storage, and are cleavable under mild thiolytic conditions to regenerate the amine- or hydroxyl-containing compound in its native form, without the formation of undesirable side products.

  包含脂质或亲水性聚合物的共轭物，例如聚乙二醇，与源自胺基或羟基含有化合物的配体相连，例如药物或蛋白质，在储存条件下稳定，并且在温和的硫醚条件下可被裂解，以使胺基或羟基含有化合物以其天然形式再生，而不形成不良副产物。
• [EN] COPPER-CONTAINING POLYMERIC COMPOSITIONS<br/>[FR] COMPOSITIONS POLYMÈRES CONTENANT DU CUIVRE
  申请人：EASTMAN KODAK CO

  公开号：WO2016186864A1

  公开（公告）日：2016-11-24

  Copper-containing compositions can be provided in articles on a suitable substrate. Such compositions can include either reducible copper ions or copper nanoparticles complexed with a water-soluble reactive polymer or a water-insoluble crosslinked polymer derived from the water-soluble reactive polymer. The reactive polymer can be crosslinked using suitable irradiation to provide copper-containing water-insoluble complexes. The various articles and electrically -conductive materials can be assembled in electronic devices. The reactive polymer has greater than 1 mol % of recurring units comprising sulfonic acid or sulfonate groups, at least 5 mol % of recurring units comprising a pendant group capable of crosslinking via [2+2] photocycloaddition, and optionally at least 1 mol % of recurring units comprising a pendant amide, amine, hydroxy 1, lactam, phosphonic acid, or carboxylic acid group.

  含铜组分可以被提供在适合的基板上的物品中。这种组分可以包括可还原的铜离子或与水溶性活性聚合物或从水溶性活性聚合物衍生的水不溶性交联聚合物络合的铜纳米粒子。活性聚合物可以通过适当的辐照进行交联，以提供含铜的水不溶性络合物。各种物品和电导材料可以组装在电子器件中。活性聚合物具有大于1摩尔％的重复单元，包括磺酸或磺酸盐基团，至少5摩尔％的重复单元，包括通过[2+2]光环加成能够交联的侧链基团，以及可选地至少1摩尔％的重复单元，包括侧链酰胺、胺、羟基、内酰胺、膦酸或羧酸基团。
• [EN] HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES<br/>[FR] COMPOSÉS HYDROPHOBES POUR DISPOSITIFS OPTIQUEMENT ACTIFS
  申请人：MERCK PATENT GMBH

  公开号：WO2018149855A1

  公开（公告）日：2018-08-23

  The present invention relates to novel compounds, particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for compositions and ophthalmic devices as well as to compositions and ophthalmic devices comprising such compounds.

  本发明涉及新型化合物，特别是包含光活性单元的化合物，这些新型化合物特别适用于组合物和眼科器械，以及包含这些化合物的组合物和眼科器械。