1,3-二甲基嘧啶-2,4-二酮-5-硼酸 | 223418-73-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 1,3-二甲基嘧啶-2,4-二酮-5-硼酸
• 英文名称: 5-(dihydroxyboryl)-1,3-dimethyluracil
• 英文别名: (1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid；(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)boronic acid
• CAS: 223418-73-3
• 化学式: C₆H₉BN₂O₄
• mdl: MFCD03425960
• 分子量: 183.959
• InChiKey: YTOIPKGEWGCXCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.14
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

SDS

1,3-二甲基嘧啶-2,4-二酮-5-硼酸MSDS英文版

反应信息

• 作为反应物：
  描述：

  1,3-二甲基嘧啶-2,4-二酮-5-硼酸 在 sodium ethanolate 、 硫脲 作用下， 以 乙醇 为溶剂， 以74%的产率得到2-硫脲嘧啶
  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

文献信息

• Boron-containing thiouracil derivatives for neutron-capture therapy of melanoma
  作者：Werner Tjarks、Detlef Gabel

  DOI：10.1021/jm00105a049

  日期：1991.1

  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.