2-hydroxy-3-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one | 869800-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-hydroxy-3-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
• 英文别名: 2-Hydroxy-3-phenyl-4H-pyrimido[2,1-b]benzothiazole-4-one；2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one
• CAS: 869800-50-0
• 化学式: C₁₆H₁₀N₂O₂S
• 分子量: 294.334
• InChiKey: XOQCMROJRDZJEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氧代-2-苯基丙烯酰氯化物 、 2-氨基苯并噻唑 以 四氢呋喃 、 甲苯 为溶剂， 以90%的产率得到2-hydroxy-3-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
  参考文献：
  名称：

  The Condensation of (Chlorocarbonyl)phenylketene with 1,3-Dinucleophiles. II. Preparation of 2-Hydroxy-3-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-ones and Thioxo Dihydro-4,6(1H,5H)-pyrimidinones

  摘要：

  A simple one-pot and efficient method is described for the synthesis of 2-hydroxy-3-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one and thioxodihydro-4,6(1H,5H)-pyrimidinone derivatives via the reaction of (chlorocarbonyl)phenylketene with 1,3- dinucleophiles such as 2-aminobenzothiazoles and N-arylthioureas respectively. This method offers a simple and convenient route to prepare the title compounds in good to excellent yields in a short reaction time.

  DOI：

  10.3987/com-08-11567

文献信息

• Real time methylumbelliferone-based assay
  申请人：Mahuran Don

  公开号：US20060008862A1

  公开（公告）日：2006-01-12

  A method is provided for determining the activity of an enzyme which releases methylumbelliferone (MU) from an MU-containing substrate wherein the enzyme has a pH optimum below the pKa of MU comprising: contacting a sample suspected of containing the enzyme with the MU-containing substrate at a pH suitable for activity of the enzyme to allow release of MU by the enzyme; contacting the sample with light of a wavelength in the range of about 310 nm to about 350 nm; determining fluorescence produced by the released MU, thereby determining the activity of the enzyme. This real time method provides improved diagnostic methods, for example for diseases associated with an abnormal level of activity of a glycosidase. The real time assay also can be used to screen compounds for their ability to modulate enzyme activity using MU-containing substrates.

  提供了一种确定酶活性的方法，该酶可从含 MU 的底物中释放甲基伞形酮（MU），其中酶的 pH 最适值低于 MU 的 pKa，该方法包括在适合酶活性的 pH 值下，将疑似含有酶的样品与含 MU 的底物接触，使酶释放 MU；将样品与波长在约 310 nm 至约 350 nm 范围内的光接触；确定释放的 MU 产生的荧光，从而确定酶的活性。这种实时方法提供了改进的诊断方法，例如用于诊断与糖苷酶活性水平异常有关的疾病。这种实时检测法还可用于筛选化合物，以确定它们利用含 MU 底物调节酶活性的能力。
• US7488721B2
  申请人：——

  公开号：US7488721B2

  公开（公告）日：2009-02-10