2,4-bis(benzylthio)-5-bromopyridine | 125154-09-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,4-bis(benzylthio)-5-bromopyridine
• 英文别名: 2,4-Bis-(benzylthio)-5-bromopyrimidine；2,4-Bis(benzylsulfanyl)-5-bromopyrimidine
• CAS: 125154-09-8
• 化学式: C₁₈H₁₅BrN₂S₂
• 分子量: 403.366
• InChiKey: KQEHCJOEYVNJLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-bis(benzylthio)-5-bromopyridine 、 硼酸三丁酯 、 二乙醇胺 生成 [2,4-bis(benzylsulfanyl)pyrimidin-5-yl]boronic acid;2-(2-hydroxyethylamino)ethanol
  参考文献：
  名称：

  GABEL, DETLEF

  摘要：

  DOI：
• 作为产物：
  描述：

  5-溴-2,4-二氯嘧啶 、 苄硫醇 在 sodium hydride 作用下， 生成 2,4-bis(benzylthio)-5-bromopyridine
  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

• GABEL, DETLEF
  作者：GABEL, DETLEF

  DOI：——

  日期：——
• 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.