O,S-bis(trimethylsilyl)-5-iodo-2-thiouracil | 130985-71-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: O,S-bis(trimethylsilyl)-5-iodo-2-thiouracil
• 英文别名: (5-Iodo-4-trimethylsilyloxypyrimidin-2-yl)sulfanyl-trimethylsilane
• CAS: 130985-71-6
• 化学式: C₁₀H₁₉IN₂OSSi₂
• 分子量: 398.415
• InChiKey: BAXUMFDPPUGPAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  60.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  硼酸三丁酯 、 O,S-bis(trimethylsilyl)-5-iodo-2-thiouracil 生成 2-(n-butylthio)-5-(trimethylsilyl)uracil
  参考文献：
  名称：

  Boron-containing thiouracil derivatives for neutron-capture therapy of melanoma

  摘要：

  Boron-containing derivatives of 2-thiouracil and 2,4-dithiouracil and the corresponding 6-propyl compounds, containing a dihydroxyboryl group in the 5-position, have been prepared. These compounds accumulate in B16 melanoma in mice in concentrations up to 30-mu-g of boron per gram tissue. The uptake persists. The toxicity of both 2-thiouracil derivatives is low. These compounds are therefore good candidates for boron neutron-capture therapy of malignant melanoma.

  DOI：

  10.1021/jm00105a049
• 作为产物：
  描述：

  三甲基氯硅烷 、 5-iodo-2-thiouracil 在 六甲基二硅氮烷 作用下， 以51%的产率得到O,S-bis(trimethylsilyl)-5-iodo-2-thiouracil
  参考文献：
  名称：

  Boron-containing thiouracil derivatives for neutron-capture therapy of melanoma

  摘要：

  Boron-containing derivatives of 2-thiouracil and 2,4-dithiouracil and the corresponding 6-propyl compounds, containing a dihydroxyboryl group in the 5-position, have been prepared. These compounds accumulate in B16 melanoma in mice in concentrations up to 30-mu-g of boron per gram tissue. The uptake persists. The toxicity of both 2-thiouracil derivatives is low. These compounds are therefore good candidates for boron neutron-capture therapy of malignant melanoma.

  DOI：

  10.1021/jm00105a049